ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYL SULPHONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H13N3O5S
Molecular Weight	263.271
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYL SULPHONE

Structure Search

SMILES

CCS(=O)(=O)CCN1C(C)=NC(=C1O)[N+]([O-])=O

InChI

InChIKey=ZJWKRPPNTALLIT-UHFFFAOYSA-N

InChI=1S/C8H13N3O5S/c1-3-17(15,16)5-4-10-6(2)9-7(8(10)12)11(13)14/h12H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C8H13N3O5S
Molecular Weight	263.271
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:33:54 GMT 2025` Edited by `admin` on `Tue Apr 01 19:33:54 GMT 2025`
Record UNII	U893LIC9LN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYL SULPHONE

Systematic Name

English

TINIDAZOLE METABOLITE ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYL SULPHONE

Preferred Name

English

1H-IMIDAZOL-5-OL, 1-(2-(ETHYLSULFONYL)ETHYL)-2-METHYL-4-NITRO-

Systematic Name

English

ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYLSULFONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

126051

Created by admin on Tue Apr 01 19:33:54 GMT 2025 , Edited by admin on Tue Apr 01 19:33:54 GMT 2025

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CAS

96740-74-8

Created by admin on Tue Apr 01 19:33:54 GMT 2025 , Edited by admin on Tue Apr 01 19:33:54 GMT 2025

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EPA CompTox

DTXSID90242497

Created by admin on Tue Apr 01 19:33:54 GMT 2025 , Edited by admin on Tue Apr 01 19:33:54 GMT 2025

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FDA UNII

U893LIC9LN

Created by admin on Tue Apr 01 19:33:54 GMT 2025 , Edited by admin on Tue Apr 01 19:33:54 GMT 2025

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Related Record Type Details


					033KF7V46H

TINIDAZOLE

PARENT -> METABOLITE