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Details

Stereochemistry RACEMIC
Molecular Formula C7H11N3O4
Molecular Weight 201.1799
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)-1,2-PROPANEDIOL

SMILES

CC1=NC=C(N1CC(O)CO)[N+]([O-])=O

InChI

InChIKey=QQNYOVQUGLPEFB-UHFFFAOYSA-N
InChI=1S/C7H11N3O4/c1-5-8-2-7(10(13)14)9(5)3-6(12)4-11/h2,6,11-12H,3-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H11N3O4
Molecular Weight 201.1799
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 15:08:44 GMT 2023
Edited
by admin
on Sat Dec 16 15:08:44 GMT 2023
Record UNII
IM5MUU9WNB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)-1,2-PROPANEDIOL
Systematic Name English
DA 3838
Common Name English
1,2-PROPANEDIOL, 3-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)-
Systematic Name English
RO 11-2616
Common Name English
DE(CHLORO)-HYDROXY-ORNIDAZOLE
Common Name English
ORNIDAZOLE METABOLITE M6
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00875679
Created by admin on Sat Dec 16 15:08:44 GMT 2023 , Edited by admin on Sat Dec 16 15:08:44 GMT 2023
PRIMARY
CAS
62580-80-7
Created by admin on Sat Dec 16 15:08:44 GMT 2023 , Edited by admin on Sat Dec 16 15:08:44 GMT 2023
PRIMARY
PUBCHEM
93336
Created by admin on Sat Dec 16 15:08:44 GMT 2023 , Edited by admin on Sat Dec 16 15:08:44 GMT 2023
PRIMARY
FDA UNII
IM5MUU9WNB
Created by admin on Sat Dec 16 15:08:44 GMT 2023 , Edited by admin on Sat Dec 16 15:08:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE