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CAS No.: | 859-18-7 |
---|---|
Name: | Lincomycin hydrochloride |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C18H34N2O6S.HCl |
Molecular Weight: | 443.005 |
Synonyms: | D-erythro-D-galacto-Octopyranoside,methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-,monohydrochloride, trans-a- (8CI);D-erythro-a-D-galacto-Octopyranoside, methyl6,8-dideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-,monohydrochloride, (2S-trans)-;D-erythro-a-D-galacto-Octopyranoside, methyl6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-,monohydrochloride (9CI);Lincomycin hydrochloride (7CI);Lincocin;Lincogap;NSC 70731;U 10149a;Lincocin Hydrochloride; |
EINECS: | 212-726-7 |
Density: | == |
Melting Point: | 156-158 °C |
Boiling Point: | 646.8 °C at 760 mmHg |
Flash Point: | 345 °C |
Solubility: | Soluble in water. |
Appearance: | Crystalline |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-36 |
PSA: | 147.79000 |
LogP: | 0.27380 |
lincomycin hydrochloride
Conditions | Yield |
---|---|
With ammonium hydroxide; dihydrogen peroxide; acetonitrile In water at 20℃; for 0.333333h; pH=10.8; | 95% |
chloro-trimethyl-silane
lincomycin hydrochloride
1,1,1,3,3,3-hexamethyl-disilazane
Conditions | Yield |
---|---|
With pyridine at 2 - 20℃; for 8h; | 89% |
lincomycin hydrochloride
Conditions | Yield |
---|---|
In water | 86% |
lincomycin hydrochloride
Conditions | Yield |
---|---|
With ammonium hydroxide; dihydrogen peroxide In water at 20℃; for 12h; pH=10.8; | A 66% B 30% |
lincomycin hydrochloride
Methyl 6-Amino-6,8-dideoxy-1-thio-D-erythro-α-D-galacto-octopyranoside
Conditions | Yield |
---|---|
With hydrazine hydrate at 120℃; for 24h; | 59% |
lincomycin hydrochloride
Conditions | Yield |
---|---|
With sodium hydroxide; dihydrogen peroxide In water at 20℃; for 12h; pH=9.75; | A 47% B 50% |
Conditions | Yield |
---|---|
With α-mannosidase In various solvent(s) at 48℃; pH=5.0; Enzymatic reaction; | 2.4% |
lincomycin hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrazine hydrate / 24 h / 120 °C 2: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h / 20 °C 3: trifluoroacetic acid / dichloromethane / 2 h / 20 °C View Scheme |
lincomycin hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrazine hydrate / 24 h / 120 °C 2: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 16 h / 20 °C View Scheme |
lincomycin hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrazine hydrate / 24 h / 120 °C 2: triphenylphosphine; tetrachloromethane / acetonitrile / 3 h / Reflux View Scheme |
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The Lincomycin hydrochloride, with the CAS registry number 859-18-7, is also known as Lincomycin hydrochloride BP98; Lincocin; Lincorex; Lincomycin hydrochloride monohydrate. It belongs to the product categories of Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals.Its EINECS number is 212-726-7.This chemical's molecular formula is C18H34N2O6S.HCl and molecular weight is 443.00. What's more,Its systematic name is D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(1-methyl-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-,monohydrochloride, trans-alpha-.It is a Crystalline Solid.And it is an antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.
Physical properties about Lincomycin hydrochloride are:
(1)ACD/LogP: 0.908; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -0.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 5.85; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Flash Point: 345 °C; (13)Enthalpy of Vaporization: 109.25 kJ/mol; (14)Boiling Point: 646.8 °C at 760 mmHg; (15)Vapour Pressure: 1.85E-19 mmHg at 25°C.
Safety Information of Lincomycin hydrochloride:
The Lincomycin hydrochloride is harmful by inhalation, in contact with skin and if swallowed. It ii Irritating to eyes, respiratory system and skin.When you use it ,wear suitable protective clothing.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES:Cl.O=C(N[C@@H]([C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)C)[C@H]2N(C)C[C@H](CCC)C2;
(2)Std. InChI:InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1;
(3)Std. InChIKey:POUMFISTNHIPTI-BOMBIWCESA-N.
The toxicity data of Lincomycin hydrochloride as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD | oral | > 300mg/kg (300mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 476, 1964. | |
guinea pig | LD50 | intraperitoneal | 732mg/kg (732mg/kg) | Bulletin of the Faculty of Pharmacy Vol. 18, Pg. 131, 1979. | |
monkey | LD | oral | > 300mg/kg (300mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 476, 1964. | |
mouse | LD50 | intramuscular | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 1260, 1990. | |
mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | Bulletin of the Faculty of Pharmacy Vol. 18, Pg. 131, 1979. | |
mouse | LD50 | intravenous | 214mg/kg (214mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 476, 1964. | |
mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 1260, 1990. | |
mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 1260, 1990. | |
rat | LD50 | intravenous | 342mg/kg (342mg/kg) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 476, 1964. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 1260, 1990. | |
rat | LD50 | subcutaneous | 9778mg/kg (9778mg/kg) | Toxicology and Applied Pharmacology. Vol. 9, Pg. 445, 1966. |