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Details

Stereochemistry RACEMIC
Molecular Formula C12H15N3O9
Molecular Weight 345.2622
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of metronidazole citrate

SMILES

CC1=NC=C(N1CCOC(=O)CC(O)(CC(O)=O)C(O)=O)[N+]([O-])=O

InChI

InChIKey=BSDGJHSABQWHHI-UHFFFAOYSA-N
InChI=1S/C12H15N3O9/c1-7-13-6-8(15(22)23)14(7)2-3-24-10(18)5-12(21,11(19)20)4-9(16)17/h6,21H,2-5H2,1H3,(H,16,17)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C12H15N3O9
Molecular Weight 345.2622
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:03 UTC 2023
Edited
by admin
on Sat Dec 16 18:43:03 UTC 2023
Record UNII
8Y356BW999
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
metronidazole citrate
Common Name English
2-hydroxy-2-[2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxo-ethyl]butanedioic acid
Systematic Name English
Code System Code Type Description
FDA UNII
8Y356BW999
Created by admin on Sat Dec 16 18:43:04 UTC 2023 , Edited by admin on Sat Dec 16 18:43:04 UTC 2023
PRIMARY
PUBCHEM
165412102
Created by admin on Sat Dec 16 18:43:04 UTC 2023 , Edited by admin on Sat Dec 16 18:43:04 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
ACTIVE MOIETY