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| CAS No.: | 64-72-2 |
|---|---|
| Name: | Chlortetracycline hydrochloride |
| Molecular Structure: | |
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| Formula: | C22H23ClN2O8.HCl |
| Molecular Weight: | 515.347 |
| Synonyms: | 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,monohydrochloride (8CI);7-Chlorotetracycline monohydrochloride;Aureociclina;7-Chlorotetracyclinehydrochloride;Aureocycline;Aureomycin hydrochloride;Aureomycin monohydrochloride;Aureovit12C80;Aurofac 100;Biomycin hydrochloride;Chlortetracyclinium chloride;Fermycin Soluble;Isphamycin;NSC 13252;Chlortetracycline hydrochloride; |
| EINECS: | 200-591-7 |
| Melting Point: | 210-215 °C (dec.)(lit.) |
| Boiling Point: | 828.9 °C at 760 mmHg |
| Flash Point: | 455.1 °C |
| Solubility: | Slightly soluble in ethanol and water. Hardly soluble in acetone, diethyl ether and chloroform |
| Appearance: | Yellow solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 181.62000 |
| LogP: | 1.94130 |
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Specification
The Piperazine citrate, with the CAS registry number 64-72-2, is also known as Aureomycin monohydrochloride. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 200-591-7. This chemical's molecular formula is C22H23ClN2O8.HCl and molecular weight is 515.34. What's more, its systematic name is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide hydrochloride (1:1). Its classification codes are: (1)Antibacterial; (2)Antiprotozoal; (3)Drug / Therapeutic Agent; (4)Reproductive Effect. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is used as additive of Levine eosin-methylene blue agar.
Physical properties of Piperazine citrate are: (1)# of Rule of 5 Violations: 3; (2)ACD/LogD (pH 5.5): -3.06; (3)ACD/LogD (pH 7.4): -3.56; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (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: 455.1 °C; (13)Enthalpy of Vaporization: 126.28 kJ/mol; (14)Boiling Point: 828.9 °C at 760 mmHg; (15)Vapour Pressure: 4.07E-29 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need 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(O)ccc(Cl)c1[C@@](C)(O)[C@H]4C[C@@H]23
(2)Std. InChI: InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
(3)Std. InChIKey: CBHYYLPALVVVEY-MRFRVZCGSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD | intravenous | > 50mg/kg (50mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948. |
| dog | LDLo | intravenous | 150mg/kg (150mg/kg) | KIDNEY, URETER, AND BLADDER: HEMATURIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: TREMOR | Annals of the New York Academy of Sciences. Vol. 51, Pg. 254, 1948. |
| guinea pig | LD | subcutaneous | > 300mg/kg (300mg/kg) | Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948. | |
| guinea pig | LDLo | intravenous | 100mg/kg (100mg/kg) | Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948. | |
| mouse | LD50 | intraperitoneal | 197mg/kg (197mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 278, 1970. | |
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 95, 1964. | |
| mouse | LD50 | oral | 2314mg/kg (2314mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 95, 1964. | |
| mouse | LDLo | subcutaneous | 400mg/kg (400mg/kg) | Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948. | |
| rabbit | LD | intravenous | > 50mg/kg (50mg/kg) | Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948. | |
| rat | LD | oral | > 3gm/kg (3000mg/kg) | Annals of the New York Academy of Sciences. Vol. 51, Pg. 182, 1948. | |
| rat | LD50 | intraperitoneal | 335mg/kg (335mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Antibiotics Annual. Vol. 1, Pg. 63, 1953/1954. |
| rat | LD50 | intravenous | 100mg/kg (100mg/kg) | Bollettino Chimico Farmaceutico. Vol. 102, Pg. 660, 1963. |