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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClFN3OS.ClH
Molecular Weight 410.293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Irazepine hydrochloride

SMILES

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

InChI

InChIKey=COWILOFZSIQQHF-UHFFFAOYSA-N
InChI=1S/C18H13ClFN3OS.ClH/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;1H

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

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 19:23:36 GMT 2023
Edited
by admin
on Sat Dec 16 19:23:36 GMT 2023
Record UNII
AE8U4LDJ9K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Irazepine hydrochloride
Common Name English
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-, hydrochloride (1:1)
Systematic Name English
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-, monohydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
164888917
Created by admin on Sat Dec 16 19:23:36 GMT 2023 , Edited by admin on Sat Dec 16 19:23:36 GMT 2023
PRIMARY
FDA UNII
AE8U4LDJ9K
Created by admin on Sat Dec 16 19:23:36 GMT 2023 , Edited by admin on Sat Dec 16 19:23:36 GMT 2023
PRIMARY
CAS
71735-88-1
Created by admin on Sat Dec 16 19:23:36 GMT 2023 , Edited by admin on Sat Dec 16 19:23:36 GMT 2023
PRIMARY
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