AzelastineN-Oxide, (S)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H24ClN3O2
Molecular Weight	397.898
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+]1([O-])CCC[C@@H](CC1)N2N=C(CC3=CC=C(Cl)C=C3)C4=CC=CC=C4C2=O

InChI

InChIKey=QFWLGALGCDUDAP-MDYZWHIJSA-N

InChI=1S/C22H24ClN3O2/c1-26(28)13-4-5-18(12-14-26)25-22(27)20-7-3-2-6-19(20)21(24-25)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3/t18-,26?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H24ClN3O2
Molecular Weight	397.898
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:19:11 GMT 2023` Edited by `admin` on `Sat Dec 16 20:19:11 GMT 2023`
Record UNII	BKF5Y5ZH53
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AzelastineN-Oxide, (S)-

Common Name

English

(S)-AzelastineN-Oxide

Common Name

English

4-[(4-Chlorophenyl)methyl]-2-[(4S)-hexahydro-1-methyl-1-oxido-1H-azepin-4-yl]-1(2H)-phthalazinone

Systematic Name

English

1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-[(4S)-hexahydro-1-methyl-1-oxido-1H-azepin-4-yl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

71313564

Created by admin on Sat Dec 16 20:19:11 GMT 2023 , Edited by admin on Sat Dec 16 20:19:11 GMT 2023

PRIMARY

FDA UNII

BKF5Y5ZH53

Created by admin on Sat Dec 16 20:19:11 GMT 2023 , Edited by admin on Sat Dec 16 20:19:11 GMT 2023

PRIMARY

CAS

1346617-06-8

Created by admin on Sat Dec 16 20:19:11 GMT 2023 , Edited by admin on Sat Dec 16 20:19:11 GMT 2023

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