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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5N3O2
Molecular Weight 127.1014
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-4-NITRO-1H-IMIDAZOLE

SMILES

CN1C=NC(=C1)[N+]([O-])=O

InChI

InChIKey=HSCOLDQJZRZQMV-UHFFFAOYSA-N
InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C4H5N3O2
Molecular Weight 127.1014
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and calcium channel antagonist activity of 1,4-dihydropyridine derivatives containing 4-nitroimidazolyl substituents.
2002
Synthesis and antihypertensive activities of new 1,4-dihydropyridine containing nitroimidazolyl substituent with a nitrooxy group at the 3-ester position.
2002 Mar
Synthesis and in-vitro antibacterial activity of 5-substituted 1-methyl-4-nitro-1H-imidazoles.
2008 Aug
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:27:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:27:52 GMT 2023
Record UNII
Z31100A55O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-4-NITRO-1H-IMIDAZOLE
Systematic Name English
IMIDAZOLE, 1-METHYL-4-NITRO-
Systematic Name English
METRONIDAZOLE IMPURITY I
Common Name English
1H-IMIDAZOLE, 1-METHYL-4-NITRO-
Systematic Name English
1-METHYL-4-NITROIMIDAZOLE
Systematic Name English
Code System Code Type Description
PUBCHEM
18209
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
CAS
3034-41-1
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
FDA UNII
Z31100A55O
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID50184425
Created by admin on Sat Dec 16 08:27:52 GMT 2023 , Edited by admin on Sat Dec 16 08:27:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY