U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C14H24N4O4S
Molecular Weight 344.43
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-DE(NITRO)-5-((2-AMINO-2-CARBOXYETHYL)SULFANYL)-MORINIDAZOLE

SMILES

CC1=NC=C(SCC(N)C(O)=O)N1CC(O)CN2CCOCC2

InChI

InChIKey=KVQNEMNAGYQSCI-UHFFFAOYSA-N
InChI=1S/C14H24N4O4S/c1-10-16-6-13(23-9-12(15)14(20)21)18(10)8-11(19)7-17-2-4-22-5-3-17/h6,11-12,19H,2-5,7-9,15H2,1H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C14H24N4O4S
Molecular Weight 344.43
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:08:40 UTC 2023
Edited
by admin
on Sat Dec 16 15:08:40 UTC 2023
Record UNII
4T0ML5P0TR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-DE(NITRO)-5-((2-AMINO-2-CARBOXYETHYL)SULFANYL)-MORINIDAZOLE
Common Name English
MORINIDAZOLE METABOLITE M6
Common Name English
2-AMINO-3-(3-(2-HYDROXY-3-MORPHOLINO-PROPYL)-2-METHYL-IMIDAZOL-4-YL)SULFANYL-PROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
4T0ML5P0TR
Created by admin on Sat Dec 16 15:08:40 UTC 2023 , Edited by admin on Sat Dec 16 15:08:40 UTC 2023
PRIMARY
PUBCHEM
145996583
Created by admin on Sat Dec 16 15:08:40 UTC 2023 , Edited by admin on Sat Dec 16 15:08:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE