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Details

Stereochemistry MIXED
Molecular Formula C12H18ClN3O4S
Molecular Weight 335.807
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ACETAMIDO-3-(3-(3-CHLORO-2-HYDROXY-PROPYL)-2-METHYL-IMIDAZOL-4-YL)SULFANYL-PROPANOIC ACID

SMILES

CC(=O)NC(CSC1=CN=C(C)N1CC(O)CCl)C(O)=O

InChI

InChIKey=YSQDZROUXQNPCS-UHFFFAOYSA-N
InChI=1S/C12H18ClN3O4S/c1-7-14-4-11(16(7)5-9(18)3-13)21-6-10(12(19)20)15-8(2)17/h4,9-10,18H,3,5-6H2,1-2H3,(H,15,17)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C12H18ClN3O4S
Molecular Weight 335.807
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 15:40:36 UTC 2023
Edited
by admin
on Sat Dec 16 15:40:36 UTC 2023
Record UNII
GZJ2KW6PEP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ACETAMIDO-3-(3-(3-CHLORO-2-HYDROXY-PROPYL)-2-METHYL-IMIDAZOL-4-YL)SULFANYL-PROPANOIC ACID
Systematic Name English
ORNIDAZOLE METABOLITE M14
Common Name English
Code System Code Type Description
FDA UNII
GZJ2KW6PEP
Created by admin on Sat Dec 16 15:40:37 UTC 2023 , Edited by admin on Sat Dec 16 15:40:37 UTC 2023
PRIMARY
PUBCHEM
155929032
Created by admin on Sat Dec 16 15:40:37 UTC 2023 , Edited by admin on Sat Dec 16 15:40:37 UTC 2023
PRIMARY
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