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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H32N2O6S.ClH
Molecular Weight 428.972
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Demethyl lincomycin hydrochloride

SMILES

Cl.CCC[C@H]1CN[C@@H](C1)C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O

InChI

InChIKey=CHKUTFKCSCMSCE-NLBLSBHASA-N
InChI=1S/C17H32N2O6S.ClH/c1-4-5-9-6-10(18-7-9)16(24)19-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-3;/h8-15,17-18,20-23H,4-7H2,1-3H3,(H,19,24);1H/t8-,9-,10+,11-,12+,13-,14-,15-,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C17H32N2O6S
Molecular Weight 392.511
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:10:41 GMT 2025
Edited
by admin
on Wed Apr 02 17:10:41 GMT 2025
Record UNII
NW5TA35SPG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4?-Propyl-N-demethyllincomycin
Preferred Name English
N-Demethyl lincomycin hydrochloride
Common Name English
D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(4-propyl-2-pyrrolidinecarboxamido)-1-thio-, hydrochloride
Systematic Name English
D-erythro-?-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[[(2S,4R)-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-, monohydrochloride
Systematic Name English
D-erythro-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-(4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-, monohydrochloride, trans-?-
Systematic Name English
D-erythro-?-D-galacto-Octopyranoside, methyl 6,8-dideoxy-6-[[(4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, monohydrochloride, (2S-trans)-
Systematic Name English
Code System Code Type Description
FDA UNII
NW5TA35SPG
Created by admin on Wed Apr 02 17:10:41 GMT 2025 , Edited by admin on Wed Apr 02 17:10:41 GMT 2025
PRIMARY
CAS
14600-41-0
Created by admin on Wed Apr 02 17:10:41 GMT 2025 , Edited by admin on Wed Apr 02 17:10:41 GMT 2025
PRIMARY
PUBCHEM
169437323
Created by admin on Wed Apr 02 17:10:41 GMT 2025 , Edited by admin on Wed Apr 02 17:10:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE