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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H22N2O.ClH
Molecular Weight 330.852
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENANSERIN HYDROCHLORIDE

SMILES

Cl.COC1=CC2=C(C=C1)N(CC3=CC=CC=C3)C(C)=C2CCN

InChI

InChIKey=HEVSQLIUCMHBPN-UHFFFAOYSA-N
InChI=1S/C19H22N2O.ClH/c1-14-17(10-11-20)18-12-16(22-2)8-9-19(18)21(14)13-15-6-4-3-5-7-15;/h3-9,12H,10-11,13,20H2,1-2H3;1H

HIDE SMILES / InChI

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

Molecular Formula C19H22N2O
Molecular Weight 294.3908
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 Fri Dec 15 16:06:54 GMT 2023
Edited
by admin
on Fri Dec 15 16:06:54 GMT 2023
Record UNII
86Q50C824Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENANSERIN HYDROCHLORIDE
Common Name English
BENANSERIN HCL
Common Name English
NSC-17384
Code English
WOOLLEY'S ANTISEROTONIN
Common Name English
BENZYL ANTISEROTONIN
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL1740857
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID30200495
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
PUBCHEM
10670
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
NSC
17384
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
FDA UNII
86Q50C824Z
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
CAS
525-02-0
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
NCI_THESAURUS
C79720
Created by admin on Fri Dec 15 16:06:54 GMT 2023 , Edited by admin on Fri Dec 15 16:06:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE