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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24ClN3O
Molecular Weight 381.898
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZELASTINE, (S)-

SMILES

CN1CCC[C@@H](CC1)N2N=C(CC3=CC=C(Cl)C=C3)C4=C(C=CC=C4)C2=O

InChI

InChIKey=MBUVEWMHONZEQD-SFHVURJKSA-N
InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H24ClN3O
Molecular Weight 381.898
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:02:37 UTC 2023
Edited
by admin
on Sat Dec 16 09:02:37 UTC 2023
Record UNII
7Y9YE1DOYQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZELASTINE, (S)-
Common Name English
1(2H)-PHTHALAZINONE, 4-((4-CHLOROPHENYL)METHYL)-2-((4S)-HEXAHYDRO-1-METHYL-1H-AZEPIN-4-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12831281
Created by admin on Sat Dec 16 09:02:38 UTC 2023 , Edited by admin on Sat Dec 16 09:02:38 UTC 2023
PRIMARY
FDA UNII
7Y9YE1DOYQ
Created by admin on Sat Dec 16 09:02:38 UTC 2023 , Edited by admin on Sat Dec 16 09:02:38 UTC 2023
PRIMARY
CAS
143228-85-7
Created by admin on Sat Dec 16 09:02:38 UTC 2023 , Edited by admin on Sat Dec 16 09:02:38 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER