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Details

Stereochemistry RACEMIC
Molecular Formula C11H11N3O2S
Molecular Weight 249.289
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITRAMISOLE

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C2CN3CCSC3=N2

InChI

InChIKey=RFAYUIIWPKWNKY-UHFFFAOYSA-N
InChI=1S/C11H11N3O2S/c15-14(16)9-3-1-2-8(6-9)10-7-13-4-5-17-11(13)12-10/h1-3,6,10H,4-5,7H2

HIDE SMILES / InChI

Molecular Formula C11H11N3O2S
Molecular Weight 249.289
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 15:51:07 UTC 2023
Edited
by admin
on Sat Dec 16 15:51:07 UTC 2023
Record UNII
770KB1W9T8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITRAMISOLE
INN  
INN  
Official Name English
nitramisole [INN]
Common Name English
(±)-2,3,5,6-TETRAHYDRO-6-(M-NITROPHENYL)-IMIDAZO(2,1-B)THIAZOLE
Systematic Name English
IMIDAZO(2,1-B)THIAZOLE, 2,3,5,6-TETRAHYDRO-6-(M-NITROPHENYL)-
Systematic Name English
IMIDAZO(2,1-B)THIAZOLE, 2,3,5,6-TETRAHYDRO-6-(3-NITROPHENYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C250
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
Code System Code Type Description
EVMPD
SUB09316MIG
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
CAS
6646-49-7
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
PUBCHEM
163306
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
NCI_THESAURUS
C95056
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
SMS_ID
100000084138
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
INN
3787
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID30863766
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
FDA UNII
770KB1W9T8
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
CAS
6363-02-6
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
SUPERSEDED
MESH
C026100
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110956
Created by admin on Sat Dec 16 15:51:08 UTC 2023 , Edited by admin on Sat Dec 16 15:51:08 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY