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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24ClN3O.ClH
Molecular Weight 418.359
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=YEJAJYAHJQIWNU-FERBBOLQSA-N
InChI=1S/C22H24ClN3O.ClH/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;1H/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

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 Sat Dec 16 09:40:43 UTC 2023
Edited
by admin
on Sat Dec 16 09:40:43 UTC 2023
Record UNII
QGN83XMX5P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZELASTINE HYDROCHLORIDE, (S)-
Common Name English
1(2H)-PHTHALAZINONE, 4-((4-CHLOROPHENYL)METHYL)-2-(HEXAHYDRO-1-METHYL-1H-AZEPIN-4-YL)-, MONOHYDROCHLORIDE, (S)-
Systematic Name English
Code System Code Type Description
CAS
153408-27-6
Created by admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
PRIMARY
FDA UNII
QGN83XMX5P
Created by admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
PRIMARY
PUBCHEM
66586339
Created by admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID50735375
Created by admin on Sat Dec 16 09:40:43 UTC 2023 , Edited by admin on Sat Dec 16 09:40:43 UTC 2023
PRIMARY
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