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Details

Stereochemistry ACHIRAL
Molecular Formula C8H13N3O5S
Molecular Weight 263.2723
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

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 263.2723
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 Fri Jun 25 22:47:20 UTC 2021
Edited
by admin
on Fri Jun 25 22:47:20 UTC 2021
Record UNII
U893LIC9LN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYL SULPHONE
Systematic 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
TINIDAZOLE METABOLITE ETHYL 2-(5-HYDROXY-2-METHYL-4-NITRO-1-IMIDAZOLYL)ETHYL SULPHONE
Common Name English
Code System Code Type Description
PUBCHEM
126051
Created by admin on Fri Jun 25 22:47:20 UTC 2021 , Edited by admin on Fri Jun 25 22:47:20 UTC 2021
PRIMARY
CAS
96740-74-8
Created by admin on Fri Jun 25 22:47:20 UTC 2021 , Edited by admin on Fri Jun 25 22:47:20 UTC 2021
PRIMARY
EPA CompTox
96740-74-8
Created by admin on Fri Jun 25 22:47:20 UTC 2021 , Edited by admin on Fri Jun 25 22:47:20 UTC 2021
PRIMARY
FDA UNII
U893LIC9LN
Created by admin on Fri Jun 25 22:47:20 UTC 2021 , Edited by admin on Fri Jun 25 22:47:20 UTC 2021
PRIMARY
Related Record Type Details
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