(5-Methyl-3-Pyridinyl)Methyl Rupatadine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H34ClN4
Molecular Weight	522.103
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of (5-Methyl-3-Pyridinyl)Methyl Rupatadine

Structure Search

SMILES

CC1=CC(C[N+]2=CC(C)=CC(CN3CCC(CC3)=C4C5=CC=C(Cl)C=C5CCC6=CC=CN=C46)=C2)=CN=C1

InChI

InChIKey=PWKRNMKZGWGSDV-UHFFFAOYSA-N

InChI=1S/C33H34ClN4/c1-23-14-25(18-35-17-23)20-38-19-24(2)15-26(22-38)21-37-12-9-27(10-13-37)32-31-8-7-30(34)16-29(31)6-5-28-4-3-11-36-33(28)32/h3-4,7-8,11,14-19,22H,5-6,9-10,12-13,20-21H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula	C33H34ClN4
Molecular Weight	522.103
Charge	1
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 19:55:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:20 GMT 2023`
Record UNII	5V3GP2G6A6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(5-Methyl-3-Pyridinyl)Methyl Rupatadine

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

5V3GP2G6A6

Created by admin on Sat Dec 16 19:55:20 GMT 2023 , Edited by admin on Sat Dec 16 19:55:20 GMT 2023

PRIMARY

PUBCHEM

125297867

Created by admin on Sat Dec 16 19:55:20 GMT 2023 , Edited by admin on Sat Dec 16 19:55:20 GMT 2023

PRIMARY

CAS

1422960-88-0

Created by admin on Sat Dec 16 19:55:20 GMT 2023 , Edited by admin on Sat Dec 16 19:55:20 GMT 2023

PRIMARY

Related Record Type Details


					5V3GP2G6A6

(5-Methyl-3-Pyridinyl)Methyl Rupatadine

IONIC MOIETY

Amount: