[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H24ClN3O
Molecular Weight	429.941
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone

Structure Search

SMILES

CC1=CC(=CN=C1)C(=O)N2CCC(CC2)=C3C4=CC=C(Cl)C=C4CCC5=CC=CN=C35

InChI

InChIKey=WNAGDOYJHMJPBN-UHFFFAOYSA-N

InChI=1S/C26H24ClN3O/c1-17-13-21(16-28-15-17)26(31)30-11-8-18(9-12-30)24-23-7-6-22(27)14-20(23)5-4-19-3-2-10-29-25(19)24/h2-3,6-7,10,13-16H,4-5,8-9,11-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C26H24ClN3O
Molecular Weight	429.941
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 20:18:47 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:47 GMT 2023`
Record UNII	X99ZFT22J9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)methanone

Systematic Name

English

Methanone, [4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](5-methyl-3-pyridinyl)-

Systematic Name

English

Rupatadine Impurity B

Common Name

English

13-Chloro-2-[1-(5-methylpyridine-3-carbonyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene

Systematic Name

English

Piperidine, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-[(5-methyl-3-pyridinyl)carbonyl]-

Systematic Name

English

Code System Code Type Description

CAS

156523-04-5

Created by admin on Sat Dec 16 20:18:47 GMT 2023 , Edited by admin on Sat Dec 16 20:18:47 GMT 2023

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FDA UNII

X99ZFT22J9

Created by admin on Sat Dec 16 20:18:47 GMT 2023 , Edited by admin on Sat Dec 16 20:18:47 GMT 2023

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PUBCHEM

10365366

Created by admin on Sat Dec 16 20:18:47 GMT 2023 , Edited by admin on Sat Dec 16 20:18:47 GMT 2023

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