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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H39NO3S.C18H34N2O6S
Molecular Weight 756.11
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LINCOMYCIN OCTADECYLSULFAMATE

SMILES

CCCCCCCCCCCCCCCCCCNS(O)(=O)=O.CCC[C@@H]1C[C@H](N(C)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=DVWMQDLGCQGNTB-BOMBIWCESA-N
InChI=1S/C18H34N2O6S.C18H39NO3S/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);19H,2-18H2,1H3,(H,20,21,22)/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H34N2O6S
Molecular Weight 406.537
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C18H39NO3S
Molecular Weight 349.572
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 09:15:48 UTC 2019
Edited
by admin
on Tue Oct 22 09:15:48 UTC 2019
Record UNII
LFF9183DR4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LINCOMYCIN OCTADECYLSULFAMATE
Common Name English
D-ERYTHRO-D-GALACTO-OCTOPYRANOSIDE, METHYL 6,8-DIDEOXY-6-(1-METHYL-4-PROPYL-2-PYRROLIDINECARBOXAMIDO)-1-THIO-, OCTADECYLSULFAMATE (SALT), .ALPHA.-
Systematic Name English
Code System Code Type Description
CAS
23355-60-4
Created by admin on Tue Oct 22 09:15:48 UTC 2019 , Edited by admin on Tue Oct 22 09:15:48 UTC 2019
PRIMARY
PUBCHEM
133082505
Created by admin on Tue Oct 22 09:15:48 UTC 2019 , Edited by admin on Tue Oct 22 09:15:48 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE