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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H30ClN.ClH
Molecular Weight 368.384
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SR-31742 hydrochloride

SMILES

Cl.ClC1=C(C=CC(=C1)\C=C/CN2CCCCCC2)C3CCCCC3

InChI

InChIKey=RJSMIDUQCLHLCK-UOQXYWCXSA-N
InChI=1S/C21H30ClN.ClH/c22-21-17-18(9-8-16-23-14-6-1-2-7-15-23)12-13-20(21)19-10-4-3-5-11-19;/h8-9,12-13,17,19H,1-7,10-11,14-16H2;1H/b9-8-;

HIDE SMILES / InChI

Molecular Formula C21H30ClN
Molecular Weight 331.923
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 Wed Apr 02 18:19:21 GMT 2025
Edited
by admin
on Wed Apr 02 18:19:21 GMT 2025
Record UNII
J2F3UT84CE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SR-31742 hydrochloride
Code English
SR-31742A
Preferred Name English
1H-Azepine, 1-[(2Z)-3-(3-chloro-4-cyclohexylphenyl)-2-propenyl]hexahydro-, hydrochloride
Systematic Name English
SR31742A
Code English
Code System Code Type Description
PUBCHEM
9885595
Created by admin on Wed Apr 02 18:19:21 GMT 2025 , Edited by admin on Wed Apr 02 18:19:21 GMT 2025
PRIMARY
FDA UNII
J2F3UT84CE
Created by admin on Wed Apr 02 18:19:21 GMT 2025 , Edited by admin on Wed Apr 02 18:19:21 GMT 2025
PRIMARY
CAS
139592-99-7
Created by admin on Wed Apr 02 18:19:21 GMT 2025 , Edited by admin on Wed Apr 02 18:19:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY