U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClFN3OS
Molecular Weight 373.832
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IRAZEPINE

SMILES

FC1=C(C=CC=C1)C2=NCC(=O)N(CCN=C=S)C3=CC=C(Cl)C=C23

InChI

InChIKey=LTKSVYFAUMFQML-UHFFFAOYSA-N
InChI=1S/C18H13ClFN3OS/c19-12-5-6-16-14(9-12)18(13-3-1-2-4-15(13)20)22-10-17(24)23(16)8-7-21-11-25/h1-6,9H,7-8,10H2

HIDE SMILES / InChI

Molecular Formula C18H13ClFN3OS
Molecular Weight 373.832
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:38 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:38 GMT 2023
Record UNII
8ESB4CKN8K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRAZEPINE
Common Name English
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-
Systematic Name English
7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one
Systematic Name English
Code System Code Type Description
PUBCHEM
194406
Created by admin on Sat Dec 16 16:57:38 GMT 2023 , Edited by admin on Sat Dec 16 16:57:38 GMT 2023
PRIMARY
FDA UNII
8ESB4CKN8K
Created by admin on Sat Dec 16 16:57:38 GMT 2023 , Edited by admin on Sat Dec 16 16:57:38 GMT 2023
PRIMARY
WIKIPEDIA
Irazepine
Created by admin on Sat Dec 16 16:57:38 GMT 2023 , Edited by admin on Sat Dec 16 16:57:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID70992367
Created by admin on Sat Dec 16 16:57:38 GMT 2023 , Edited by admin on Sat Dec 16 16:57:38 GMT 2023
PRIMARY
CAS
71735-92-7
Created by admin on Sat Dec 16 16:57:38 GMT 2023 , Edited by admin on Sat Dec 16 16:57:38 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT