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Details

Stereochemistry ACHIRAL
Molecular Formula C27H23ClN4O4S
Molecular Weight 535.016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLOFAZIMINE HYDROGEN-SULFATE

SMILES

CC(C)/N=c/1\cc2-c(cc1Nc3ccc(cc3)OS(=O)(=O)O)nc4ccccc4n2-c5ccc(cc5)Cl

InChI

InChIKey=YRJSPGQHSGHYAX-RMLRFSFXSA-N
InChI=1S/C27H23ClN4O4S/c1-17(2)29-24-16-27-25(15-23(24)30-19-9-13-21(14-10-19)36-37(33,34)35)31-22-5-3-4-6-26(22)32(27)20-11-7-18(28)8-12-20/h3-17,30H,1-2H3,(H,33,34,35)/b29-24+

HIDE SMILES / InChI

Molecular Formula C27H23ClN4O4S
Molecular Weight 535.016
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:16:37 UTC 2021
Edited
by admin
on Fri Jun 25 23:16:37 UTC 2021
Record UNII
G9ZDT91MJ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOFAZIMINE HYDROGEN-SULFATE
Common Name English
PHENOL, 4-((5-(4-CHLOROPHENYL)-3,5-DIHYDRO-3-((1-METHYLETHYL)IMINO)-2-PHENAZINYL)AMINO)-, 1-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
CAS
190319-58-5
Created by admin on Fri Jun 25 23:16:37 UTC 2021 , Edited by admin on Fri Jun 25 23:16:37 UTC 2021
PRIMARY
FDA UNII
G9ZDT91MJ9
Created by admin on Fri Jun 25 23:16:37 UTC 2021 , Edited by admin on Fri Jun 25 23:16:37 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Human Clofazimine metabolite thru Sulfate conjugation