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CAS No.: | 64-75-5 |
---|---|
Name: | Tetracycline hydrochloride |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C22H24N2O8.HCl |
Molecular Weight: | 480.902 |
Synonyms: | Neocycline B;Paltet;Panmycin hydrochloride;Partrex;Polyotic ointment;Purocyclina;Remicyclin;Riocyclin;Robitet;Subamycin;Supramycin;Tefilin;Tet-Cy;Tetrabakat;Tetrabid;Tetrabon;Tetrachel;Tetracompren;Tetracycline hydrochloride;Tetracyn;Tetralution;Tetrosol;Triphacyclin;Unicin;Vetquamycin 324;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrochloride (8CI);Achro;Achromycin hydrochloride;Ala-Tet;Ambracyn;Bristacycline;Cancycline-250;Criseociclina;Dumocyclin;Helvecyclin;Hostacycline;Medamycin;Tetracycline HCL; |
EINECS: | 200-593-8 |
Melting Point: | 220-223 °C(lit.) |
Boiling Point: | 799.4 °C at 760 mmHg |
Flash Point: | 437.3 °C |
Solubility: | 50 g/L in water |
Appearance: | Yellow crystalline powder |
Hazard Symbols: | Xi, Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-36 |
PSA: | 181.62000 |
LogP: | 1.28790 |
Conditions | Yield |
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With hydrogenchloride In methanol; water |
(1S,2R)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylic acid
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 13 steps 1.1: 3-chloro-benzenecarboperoxoic acid / ethyl acetate / 10.5 h / 23 °C / Inert atmosphere 2.1: methanol; hexane; benzene / 0.08 h / 23 °C / Inert atmosphere 2.2: 0.5 h 3.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 3.2: 1 h / -78 °C / Inert atmosphere 4.1: lithium trifluoromethanesulfonate / toluene / 3 h / 23 - 60 °C / Inert atmosphere 4.2: 18 h / 23 °C / Inert atmosphere 5.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 5.2: 23 h / 0 - 23 °C / Inert atmosphere 6.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 7.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 8.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 8.2: 0.42 h / 0 °C / Inert atmosphere 9.1: 48 h / 85 °C / Inert atmosphere 10.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 11.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 12.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 12.2: air 13.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 13.2: Inert atmosphere View Scheme |
(1S,2R,3S,6R)-2,3-Dihydroxy-7-oxa-bicyclo[4.1.0]hept-4-ene-3-carboxylic acid
tetracycline hydrochloride
Conditions | Yield |
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Multi-step reaction with 12 steps 1.1: methanol; hexane; benzene / 0.08 h / 23 °C / Inert atmosphere 1.2: 0.5 h 2.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 2.2: 1 h / -78 °C / Inert atmosphere 3.1: lithium trifluoromethanesulfonate / toluene / 3 h / 23 - 60 °C / Inert atmosphere 3.2: 18 h / 23 °C / Inert atmosphere 4.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 4.2: 23 h / 0 - 23 °C / Inert atmosphere 5.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 6.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 7.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 7.2: 0.42 h / 0 °C / Inert atmosphere 8.1: 48 h / 85 °C / Inert atmosphere 9.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 10.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 11.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 11.2: air 12.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 12.2: Inert atmosphere View Scheme |
(1S,2R,3R,6S)-2,3-Bis-(tert-butyl-dimethyl-silanyloxy)-7-oxa-bicyclo[4.1.0]hept-4-ene-1-carboxylic acid methyl ester
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 11 steps 1.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 °C / Inert atmosphere 2.1: lithium trifluoromethanesulfonate / toluene / 3 h / 23 - 60 °C / Inert atmosphere 2.2: 18 h / 23 °C / Inert atmosphere 3.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 3.2: 23 h / 0 - 23 °C / Inert atmosphere 4.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 5.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 6.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 6.2: 0.42 h / 0 °C / Inert atmosphere 7.1: 48 h / 85 °C / Inert atmosphere 8.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 9.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 10.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 10.2: air 11.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 11.2: Inert atmosphere View Scheme |
3-benzyloxy-5-dimethylaminomethylisoxazole
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 11 steps 1.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 1.2: 1 h / -78 °C / Inert atmosphere 2.1: lithium trifluoromethanesulfonate / toluene / 3 h / 23 - 60 °C / Inert atmosphere 2.2: 18 h / 23 °C / Inert atmosphere 3.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 3.2: 23 h / 0 - 23 °C / Inert atmosphere 4.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 5.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 6.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 6.2: 0.42 h / 0 °C / Inert atmosphere 7.1: 48 h / 85 °C / Inert atmosphere 8.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 9.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 10.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 10.2: air 11.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 11.2: Inert atmosphere View Scheme |
C6H9BrN2O
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 12 steps 1.1: sodium / 32 h / 23 °C / Inert atmosphere 1.2: 20 h / 23 - 120 °C / Inert atmosphere 2.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere 2.2: 1 h / -78 °C / Inert atmosphere 3.1: lithium trifluoromethanesulfonate / toluene / 3 h / 23 - 60 °C / Inert atmosphere 3.2: 18 h / 23 °C / Inert atmosphere 4.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 4.2: 23 h / 0 - 23 °C / Inert atmosphere 5.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 6.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 7.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 7.2: 0.42 h / 0 °C / Inert atmosphere 8.1: 48 h / 85 °C / Inert atmosphere 9.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 10.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 11.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 11.2: air 12.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 12.2: Inert atmosphere View Scheme |
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 10 steps 1.1: lithium trifluoromethanesulfonate / toluene / 3 h / 23 - 60 °C / Inert atmosphere 1.2: 18 h / 23 °C / Inert atmosphere 2.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 2.2: 23 h / 0 - 23 °C / Inert atmosphere 3.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 4.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 5.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 5.2: 0.42 h / 0 °C / Inert atmosphere 6.1: 48 h / 85 °C / Inert atmosphere 7.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 8.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 9.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 9.2: air 10.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 10.2: Inert atmosphere View Scheme |
C26H36N2O6Si
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 9 steps 1.1: diethylazodicarboxylate; triphenylphosphine / toluene / 1.5 h / 0 °C / Inert atmosphere 1.2: 23 h / 0 - 23 °C / Inert atmosphere 2.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 3.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 4.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 4.2: 0.42 h / 0 °C / Inert atmosphere 5.1: 48 h / 85 °C / Inert atmosphere 6.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 7.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 8.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 8.2: air 9.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 9.2: Inert atmosphere View Scheme |
C26H36N2O5Si
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 8 steps 1.1: acetic acid; tetrabutyl ammonium fluoride / tetrahydrofuran / 5.5 h / 0 - 23 °C / Inert atmosphere 2.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 3.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 3.2: 0.42 h / 0 °C / Inert atmosphere 4.1: 48 h / 85 °C / Inert atmosphere 5.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 6.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 7.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 7.2: air 8.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 8.2: Inert atmosphere View Scheme |
C20H22N2O5
tetracycline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 36 h / 23 °C / Inert atmosphere 2.1: pyridinium hydrobromide perbromide / dichloromethane / 17 h / 23 °C / Inert atmosphere 2.2: 0.42 h / 0 °C / Inert atmosphere 3.1: 48 h / 85 °C / Inert atmosphere 4.1: triethylamine tris(hydrogen fluoride) / tetrahydrofuran / 12 h / 23 °C / Inert atmosphere 5.1: 2-iodoxybenzoic acid / dimethyl sulfoxide / 18 h / 23 - 35 °C / Darkness; Inert atmosphere 6.1: 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid / dichloromethane / 0.67 h / -78 - 0 °C / Inert atmosphere 6.2: air 7.1: palladium; hydrogen / 1,4-dioxane / 2 h / 23 °C / 760.05 Torr 7.2: Inert atmosphere View Scheme |
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The Tetracycline hydrochloride is an organic compound with the formula C22H24N2O8.HCl. The systematic name of this chemical is (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride (1:1). With the CAS registry number 64-75-5, it is also named as 2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, hydrochloride (1:1). The product's categories are Active Pharmaceutical Ingredients; Antibiotics for Research and Experimental Use; Biochemistry; Others (Antibiotics for Research and Experimental Use); Antibiotic Explorer; TA - TEAntibiotics; Tetracyclines Antibiotics; Bacteriostatic Antibiotics; Chemical Structure; L - ZAlphabetic; Principle; TetracyclinesMore...Close...; Antibacterial; Antibiotics; Interferes with Protein Synthesis Spectrum of Activity;L - ZAntibiotics; Mechanism of Action; Antibiotics T-ZAntibiotics; Antibiotics Antibiotics; Antibiotics Research Essentials; Antibiotics A to; Antibiotics by Application; Cell Culture; Chemical Structure Class; Core Bioreagents; Genetic Marker Selection Antibiotics; Reagents and Supplements; Tetracyclines; Research Essentials. Besides, it is a yellow crystalline powder, which is a broad-spectrum polyketide antibiotic produced by the streptomyces genus of actinobacteria.
Physical properties about Tetracycline hydrochloride are:
(1)# of Rule of 5 Violations: 2; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 10; (9)#H bond donors: 7; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 181.62 Å2; (12)Flash Point: 437.3 °C; (13)Enthalpy of Vaporization: 121.9 kJ/mol; (14)Boiling Point: 799.4 °C at 760 mmHg; (15)Vapour Pressure: 5.82E-27 mmHg at 25°C.
Safety information of Tetracycline hydrochloride:
When you are using this chemical, please be cautious about it as the following:It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CN(C)[C@@H]2C(\O)=C(\C(N)=O)C(=O)[C@@]3(O)C(/O)=C4/C(=O)c1c(cccc1O)[C@@](C)(O)[C@H]4C[C@@H]23
(2)InChI: InChI=1/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15-,21+,22-;/m0./s1
(3)InChIKey: XMEVHPAGJVLHIG-FMZCEJRJBJ
(4)Std. InChI: InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15-,21+,22-;/m0./s1
(5)Std. InChIKey: XMEVHPAGJVLHIG-FMZCEJRJSA-N
The toxicity data of Tetracycline hydrochloride is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | oral | 200mg/kg/7D-I (200mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHANGE IN FUNCTION: TASTE | Clinical Pharmacy. Vol. 4, Pg. 455, 1985. |
mouse | LD50 | intraperitoneal | 368mg/kg (368mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 16, Pg. 33, 1964. | |
mouse | LD50 | intravenous | 157mg/kg (157mg/kg) | Farmaco, Edizione Scientifica. Vol. 10, Pg. 197, 1955. | |
mouse | LD50 | oral | 2759mg/kg (2759mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 16, Pg. 33, 1964. | |
mouse | LD50 | unreported | 105mg/kg (105mg/kg) | "Evaluation of Embryotoxicity, Mutagenicity and Carcinogenicity Risks In New Drugs, Proceedings of the Symposium on Toxicological Testing for Safety of New Drugs, 3rd, Prague, 1976," Benesova, O., et al., eds., Prague, Czechoslovakia, Univerzita Karlova, 1979Vol. -, Pg. 55, 1979. | |
rabbit | LDLo | intrapleural | 35mg/kg (35mg/kg) | LUNGS, THORAX, OR RESPIRATION: FIBROSIS (INTERSTITIAL) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Lung. Vol. 174, Pg. 373, 1996. |
rat | LD50 | intraperitoneal | 318mg/kg (318mg/kg) | Gendai no Rinsho. Vol. 2, Pg. 26, 1968. | |
rat | LD50 | intravenous | 128mg/kg (128mg/kg) | Farmaco, Edizione Scientifica. Vol. 10, Pg. 197, 1955. | |
rat | LD50 | oral | 6443mg/kg (6443mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. | |
rat | LD50 | subcutaneous | 700mg/kg (700mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Toxicology and Applied Pharmacology. Vol. 9, Pg. 445, 1966. |