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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H31ClN2O5S
Molecular Weight 410.956
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLCLINDAMYCIN

SMILES

[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)CN1)([C@H](C)Cl)[C@@]2([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O

InChI

InChIKey=HDBHHHCDEYATPY-MHXMMLMNSA-N
InChI=1S/C17H31ClN2O5S/c1-4-5-9-6-10(19-7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H31ClN2O5S
Molecular Weight 410.956
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 Thu Jul 06 21:55:48 UTC 2023
Edited
by admin
on Thu Jul 06 21:55:48 UTC 2023
Record UNII
0C0YZC7W4S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYLCLINDAMYCIN
Common Name English
7-CHLORO-N-DEMETHYLLINCOMYCIN
Common Name English
L-THREO-.ALPHA.-D-GALACTO-OCTOPYRANOSIDE, METHYL 7-CHLORO-6,7,8-TRIDEOXY-6-(((4-PROPYL-2-PYRROLIDINYL)CARBONYL)AMINO)-1-THIO-, (2S-TRANS)-
Systematic Name English
L-THREO-.ALPHA.-D-GALACTO-OCTOPYRANOSIDE, METHYL 7-CHLORO-6,7,8-TRIDEOXY-6-((((2S,4R)-4-PROPYL-2-PYRROLIDINYL)CARBONYL)AMINO)-1-THIO-
Systematic Name English
(7S)-7-CHLORO-7-DEOXY-1'-DEMETHYLLINCOMYCIN
Common Name English
1'-DEMETHYLCLINDAMYCIN
Common Name English
U 26727A
Common Name English
L-THREO-D-GALACTO-OCTOPYRANOSIDE, METHYL 7-CHLORO-6,7,8-TRIDEOXY-6-(4-PROPYL-L-2-PYRROLIDINECARBOXAMIDO)-1-THIO-, TRANS-.ALPHA.-
Systematic Name English
Code System Code Type Description
PUBCHEM
101276943
Created by admin on Thu Jul 06 21:55:48 UTC 2023 , Edited by admin on Thu Jul 06 21:55:48 UTC 2023
PRIMARY
CAS
22431-45-4
Created by admin on Thu Jul 06 21:55:48 UTC 2023 , Edited by admin on Thu Jul 06 21:55:48 UTC 2023
PRIMARY
FDA UNII
0C0YZC7W4S
Created by admin on Thu Jul 06 21:55:48 UTC 2023 , Edited by admin on Thu Jul 06 21:55:48 UTC 2023
PRIMARY
Related Record Type Details
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