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Details

Stereochemistry RACEMIC
Molecular Formula C29H30ClN3O
Molecular Weight 472.021
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

SMILES

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

InChI

InChIKey=FQZPDUGONGVOMC-UHFFFAOYSA-N
InChI=1S/C29H30ClN3O/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

HIDE SMILES / InChI

Molecular Formula C29H30ClN3O
Molecular Weight 472.021
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:34:00 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:00 GMT 2023
Record UNII
1R39NY6UYN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-(CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-(2-PHENYLETHYL)-1H-AZEPIN-4-YL)-1(2H)-PHTHALAZINONE
Systematic Name English
DE(FLUORO) CHLOROFLEZELASTINE
Common Name English
Code System Code Type Description
CAS
103541-68-0
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
FDA UNII
1R39NY6UYN
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY
PUBCHEM
59761
Created by admin on Sat Dec 16 17:34:00 GMT 2023 , Edited by admin on Sat Dec 16 17:34:00 GMT 2023
PRIMARY