RUPATADINE TRIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26ClN3.3ClH
Molecular Weight	525.341
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RUPATADINE TRIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.CC1=CN=CC(CN2CCC(CC2)=C3C4=CC=C(Cl)C=C4CCC5=CC=CN=C35)=C1

InChI

InChIKey=BQFOTHHRVVHLEW-UHFFFAOYSA-N

InChI=1S/C26H26ClN3.3ClH/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;;;/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;3*1H

HIDE SMILES / InChI

Molecular Formula	C26H26ClN3
Molecular Weight	415.958
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 03:21:15 UTC 2023` Edited by `admin` on `Sat Dec 16 03:21:15 UTC 2023`
Record UNII	G61C8NZY2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUPATADINE TRIHYDROCHLORIDE

Common Name

English

5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 8-CHLORO-6,11-DIHYDRO-11-(1-((5-METHYL-3-PYRIDINYL)METHYL)-4-PIPERIDINYLIDENE)-, TRIHYDROCHLORIDE

Common Name

English

RUPATADINE TRIHYDROCHLORIDE [MI]

Common Name

English

8-CHLORO-6,11-DIHYDRO-11-(1-((5-METHYL-3-PYRIDINYL)METHYL)-4-PIPERIDINYLIDENE)-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE TRIHYDROCHLORIDE

Systematic Name

English

5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 8-CHLORO-6,11-DIHYDRO-11-(1-((5-METHYL-3-PYRIDINYL)METHYL)-4-PIPERIDINYLIDENE)-, HYDROCHLORIDE (1:3)

Systematic Name

English

Code System Code Type Description

PUBCHEM

133016