CAS No.21462-39-5,Clindamycin hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	21462-39-5
Name:	Clindamycin hydrochloride
Article Data:	3
Cas Database

Formula:	C₁₈H₃₃ClN₂O₅S^.HCl
Molecular Weight:	461.45
Synonyms:	7(S)-Chloro-7-deoxylincomycin hyddrochloride;L-threo-a-D-galacto-Octopyranoside, methyl7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-,hydrochloride (1:1);7-Chloro-7-deoxylincomycin hydrochloride;Antirobe vet.;
EINECS:	244-398-6
Density:	==
Melting Point:	141 °C
Boiling Point:	647 °C at 760 mmHg
Flash Point:	345.1 °C
Solubility:	water: 50 mg/mL, clear, colorless
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
Transport Information:	N/A
PSA:	127.56000
LogP:	1.52030

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Synthetic route

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clindamycin

: 21462-39-5
clindamycin hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In ethanol at 60℃; for 1h; pH=1; pH-value; Temperature; Large scale;	89.5%

: 21462-39-5
clindamycin hydrochloride

: Clindamycin sulfoxide

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 10℃; for 2h;	97.4%

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vinyl palmitate

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clindamycin hydrochloride

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Conditions

Conditions	Yield
Stage #1: clindamycin hydrochloride With sodium hydroxide In water Stage #2: vinyl palmitate In toluene at 20 - 40℃; for 12.5h; Reagent/catalyst; Solvent; Temperature; Enzymatic reaction; regioselective reaction;	90%

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acetic anhydride

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clindamycin hydrochloride

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bis(2-mercaptoethyl)ether

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C30H50N2O10S3

Conditions

Conditions	Yield
Stage #1: clindamycin hydrochloride; bis(2-mercaptoethyl)ether With caesium carbonate In N,N-dimethyl-formamide at 50℃; for 12h; Stage #2: acetic anhydride With pyridine; dmap	87%

...Expand

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6-amino-2-mercaptobenzothiazole

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clindamycin hydrochloride

: 7(R)-7-(6-aminobenzo[d]thiazol-2-ylthio)-7-deoxylincomycin

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 16h;	41%
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 16h;	40%

: 21462-39-5
clindamycin hydrochloride

: (2S,4R)-1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [(Z)-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propenyl]-amide

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 100℃; for 2.5h; Dehydrochlorination;	36.28%

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clindamycin hydrochloride

: clindamycin sulfoxide

Conditions

Conditions	Yield
With sodium perborate pH=~ 8 - 9;
With (Dichloroiodo)benzene

: 21462-39-5
clindamycin hydrochloride

: clindamycin sulfone

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium tungstate pH=< 1;

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clindamycin hydrochloride

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clindamycin phosphate

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clindamycin hydrochloride

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C33H54N4O11S3

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: caesium carbonate / N,N-dimethyl-formamide / 12 h / 50 °C 2: caesium carbonate; tetra-(n-butyl)ammonium iodide / tetrahydrofuran / 16 h / 40 °C View Scheme
Multi-step reaction with 3 steps 1: caesium carbonate / N,N-dimethyl-formamide / 12 h / 50 °C 2: sodium methylate; methanol / 3 h 3: caesium carbonate; tetra-(n-butyl)ammonium iodide / tetrahydrofuran / 16 h / 40 °C View Scheme

Downstream Products

24729-96-2

Total:225 Page 1 of 6 1 2 3 4 5 6 Next>>

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Specification

The IUPAC name of Clindamycin HCl is (2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride. With the CAS registry number 21462-39-5, it is also named as 7-Chloro-7-deoxylincomycin hydrochloride. The product's categories are Antibiotic Explorer; Peptide Synthesis / Antibiotics. It is white crystalline powder with bitter taste which is easily soluble in water, soluble in methanol, pyridine, slightly soluble in ethanol, practically insoluble in acetone or chloroform. Additionally, this chemical should be stored at the temperature of 2-8 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 20; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Enthalpy of Vaporization: 109.28 kJ/mol; (13)Vapour Pressure: 1.79E-19 mmHg at 25°C; (14)Rotatable Bond Count: 7; (15)Tautomer Count: 2; (16)Exact Mass: 460.156548; (17)MonoIsotopic Mass: 460.156548; (18)Topological Polar Surface Area: 128; (19)Heavy Atom Count: 28; (20)Complexity: 502; (21)Defined Atom StereoCenter Count: 7; (22)Undefined Atom StereoCenter Count: 2.

Preparation and Uses of Clindamycin HCl: It is a derivative of lincomycin. And it is semi-synthetic antibiotics obtained from the replacement of lincomycin 7 hydroxyl by chlorine atom. The bactericidal activity to staphylococcus aureus and pneumococcal diseaseis is many times stronger than Lincomycin. So Clindamycin HCl is an antibiotic class medicine. The antimicrobial spectrum is similar to lincomycin.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1SC)[C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl
2. InChI:InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intramuscular	1100mg/kg (1100mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 354, 1971.
mouse	LD50	intraperitoneal	361mg/kg (361mg/kg)		"Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse	LD50	intravenous	245mg/kg (245mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 21, Pg. 516, 1972.
mouse	LD50	oral	2539mg/kg (2539mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 354, 1971.
mouse	LD50	subcutaneous	1036mg/kg (1036mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 354, 1971.
rat	LD50	intramuscular	273mg/kg (273mg/kg)		Drugs in Japan Vol. -, Pg. 331, 1990.
rat	LD50	intraperitoneal	745mg/kg (745mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 354, 1971.
rat	LD50	oral	2193mg/kg (2193mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 354, 1971.
rat	LD50	subcutaneous	2618mg/kg (2618mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Toxicology and Applied Pharmacology. Vol. 21, Pg. 516, 1972.