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Details

Stereochemistry UNKNOWN
Molecular Formula C12H19ClN4O4S
Molecular Weight 350.822
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4((2-ACETAMIDO-2-CARBOXYETHYL)SULFANYL)-5-DE(NITRO)-5-AMINO-ORNIDAZOLE

SMILES

CC(=O)NC(CSC1=C(N)N(CC(O)CCl)C(C)=N1)C(O)=O

InChI

InChIKey=JRMOFEDRQOGARJ-UHFFFAOYSA-N
InChI=1S/C12H19ClN4O4S/c1-6-15-11(10(14)17(6)4-8(19)3-13)22-5-9(12(20)21)16-7(2)18/h8-9,19H,3-5,14H2,1-2H3,(H,16,18)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C12H19ClN4O4S
Molecular Weight 350.822
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 15:15:38 GMT 2023
Edited
by admin
on Sat Dec 16 15:15:38 GMT 2023
Record UNII
EGC26P7H7Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4((2-ACETAMIDO-2-CARBOXYETHYL)SULFANYL)-5-DE(NITRO)-5-AMINO-ORNIDAZOLE
Common Name English
2-ACETAMIDO-3-(5-AMINO-1-(3-CHLORO-2-HYDROXY-PROPYL)-2-METHYL-IMIDAZOL-4-YL)SULFANYL-PROPANOIC ACID
Systematic Name English
ORNIDAZOLE METABOLITE M15
Common Name English
Code System Code Type Description
FDA UNII
EGC26P7H7Y
Created by admin on Sat Dec 16 15:15:38 GMT 2023 , Edited by admin on Sat Dec 16 15:15:38 GMT 2023
PRIMARY
PUBCHEM
145996818
Created by admin on Sat Dec 16 15:15:38 GMT 2023 , Edited by admin on Sat Dec 16 15:15:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE