3,4-O-Isopropylidene Clindamycin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H37ClN2O5S
Molecular Weight	465.047
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-O-Isopropylidene Clindamycin

Structure Search

SMILES

CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@H]3OC(C)(C)O[C@@H]23

InChI

InChIKey=HCPHMGDEJJICGS-NQRGRALISA-N

InChI=1S/C21H37ClN2O5S/c1-7-8-12-9-13(24(5)10-12)19(26)23-14(11(2)22)16-18-17(28-21(3,4)29-18)15(25)20(27-16)30-6/h11-18,20,25H,7-10H2,1-6H3,(H,23,26)/t11-,12+,13-,14+,15+,16+,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H37ClN2O5S
Molecular Weight	465.047
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:49:45 GMT 2025` Edited by `admin` on `Wed Apr 02 18:49:45 GMT 2025`
Record UNII	D2PA3C3KHX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-O-Isopropylidene Clindamycin

Common Name

English

Clindamycin 3,4-isopropylidene

Preferred Name

English

Methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-L-threo-?-D-galacto-octopyranoside

Systematic Name

English

L-threo-?-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-

Systematic Name

English

L-threo-?-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-3,4-O-(1-methylethylidene)-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101099625

Created by admin on Wed Apr 02 18:49:45 GMT 2025 , Edited by admin on Wed Apr 02 18:49:45 GMT 2025

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PUBCHEM

91872615

Created by admin on Wed Apr 02 18:49:45 GMT 2025 , Edited by admin on Wed Apr 02 18:49:45 GMT 2025

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FDA UNII

D2PA3C3KHX

Created by admin on Wed Apr 02 18:49:45 GMT 2025 , Edited by admin on Wed Apr 02 18:49:45 GMT 2025

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CAS

147650-54-2

Created by admin on Wed Apr 02 18:49:45 GMT 2025 , Edited by admin on Wed Apr 02 18:49:45 GMT 2025

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