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

Details

Stereochemistry RACEMIC
Molecular Formula C29H30ClN3O.ClH
Molecular Weight 508.482
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments ASSUMED RACEMIC

SHOW SMILES / InChI
Structure of 4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE HYDROCHLORIDE

SMILES

Cl.ClC1=CC=C(CC2=NN(C3CCCN(CCC4=CC=CC=C4)CC3)C(=O)C5=C2C=CC=C5)C=C1

InChI

InChIKey=FKUCPTZRPUGTGI-UHFFFAOYSA-N
InChI=1S/C29H30ClN3O.ClH/c30-24-14-12-23(13-15-24)21-28-26-10-4-5-11-27(26)29(34)33(31-28)25-9-6-18-32(20-17-25)19-16-22-7-2-1-3-8-22;/h1-5,7-8,10-15,25H,6,9,16-21H2;1H

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE HYDROCHLORIDE
Systematic Name English
1(2H)-PHTHALAZINONE, 4-((4-CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-, HYDROCHLORIDE (1:1)
Systematic Name English
DE(FLUORO) CHLOROFLEZELASTINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
592NCETNKT
Created by admin on Fri Dec 15 15:37:36 GMT 2023 , Edited by admin on Fri Dec 15 15:37:36 GMT 2023
PRIMARY
PUBCHEM
110185815
Created by admin on Fri Dec 15 15:37:36 GMT 2023 , Edited by admin on Fri Dec 15 15:37:36 GMT 2023
PRIMARY
CAS
103573-65-5
Created by admin on Fri Dec 15 15:37:36 GMT 2023 , Edited by admin on Fri Dec 15 15:37:36 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966