1-(2,3-EPOXYPROPYL)-2-METHYL-5-NITROIMIDAZOLE

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H9N3O3
Molecular Weight	183.1647
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0
Stereo Comments	Assumed racemic

SHOW SMILES / InChI

Structure of 1-(2,3-EPOXYPROPYL)-2-METHYL-5-NITROIMIDAZOLE

Structure Search

SMILES

CC1=NC=C(N1CC2CO2)[N+]([O-])=O

InChI

InChIKey=NLXRQOREXATYEE-UHFFFAOYSA-N

InChI=1S/C7H9N3O3/c1-5-8-2-7(10(11)12)9(5)3-6-4-13-6/h2,6H,3-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H9N3O3
Molecular Weight	183.1647
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 15:08:41 UTC 2023` Edited by `admin` on `Sat Dec 16 15:08:41 UTC 2023`
Record UNII	C59XV6EY55
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2,3-EPOXYPROPYL)-2-METHYL-5-NITROIMIDAZOLE

Systematic Name

English

3'-DE(CHLORO)-2',3'-EPOXY-ORNIDAZOLE

Common Name

English

1H-IMIDAZOLE, 2-METHYL-5-NITRO-1-(2-OXIRANYLMETHYL)-

Systematic Name

English

2-METHYL-5-NITRO-1-(2-OXIRANYLMETHYL)-1H-IMIDAZOLE

Systematic Name

English

ORNIDAZOLE METABOLITE M3

Common Name

English

Code System Code Type Description

FDA UNII

C59XV6EY55

Created by admin on Sat Dec 16 15:08:41 UTC 2023 , Edited by admin on Sat Dec 16 15:08:41 UTC 2023

PRIMARY

PUBCHEM

86063

Created by admin on Sat Dec 16 15:08:41 UTC 2023 , Edited by admin on Sat Dec 16 15:08:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID00937382

Created by admin on Sat Dec 16 15:08:41 UTC 2023 , Edited by admin on Sat Dec 16 15:08:41 UTC 2023

PRIMARY

CAS

16773-52-7

Created by admin on Sat Dec 16 15:08:41 UTC 2023 , Edited by admin on Sat Dec 16 15:08:41 UTC 2023

PRIMARY

Related Record Type Details


					62XCK0G93T

ORNIDAZOLE

PARENT -> METABOLITE

Qualification:

URINE