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Details

Stereochemistry ACHIRAL
Molecular Formula C8H13N3O4S
Molecular Weight 247.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTINIDAZOLE

SMILES

CCS(=O)(=O)CCN1C=C(N=C1C)[N+]([O-])=O

InChI

InChIKey=GHJQUSZGINOURI-UHFFFAOYSA-N
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H13N3O4S
Molecular Weight 247.272
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 Thu Jul 06 16:48:10 UTC 2023
Edited
by admin
on Thu Jul 06 16:48:10 UTC 2023
Record UNII
OTU3H1J2L2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTINIDAZOLE
Common Name English
1-(2-(ETHYLSULFONYL)ETHYL)-2-METHYL-4-NITRO-1H-IMIDAZOLE
Systematic Name English
TINIDAZOLE IMPURITY B [EP IMPURITY]
Common Name English
1H-IMIDAZOLE, 1-(2-(ETHYLSULFONYL)ETHYL)-2-METHYL-4-NITRO-
Systematic Name English
TINIDAZOLE RELATED COMPOUND B [USP-RS]
Common Name English
ISOTINIDAZOLE [USP IMPURITY]
Common Name English
1-(2-ETHYLSULFONYLETHYL)-2-METHYL-4-NITROIMIDAZOLE
Systematic Name English
TINIDAZOLE RELATED COMPOUND B [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
33007
Created by admin on Thu Jul 06 16:48:11 UTC 2023 , Edited by admin on Thu Jul 06 16:48:11 UTC 2023
PRIMARY
CAS
25459-12-5
Created by admin on Thu Jul 06 16:48:11 UTC 2023 , Edited by admin on Thu Jul 06 16:48:11 UTC 2023
PRIMARY
FDA UNII
OTU3H1J2L2
Created by admin on Thu Jul 06 16:48:11 UTC 2023 , Edited by admin on Thu Jul 06 16:48:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID20180131
Created by admin on Thu Jul 06 16:48:11 UTC 2023 , Edited by admin on Thu Jul 06 16:48:11 UTC 2023
PRIMARY
RS_ITEM_NUM
1667541
Created by admin on Thu Jul 06 16:48:11 UTC 2023 , Edited by admin on Thu Jul 06 16:48:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
Ph.Eur.; USP