Clemastine N-Oxide

Details

Stereochemistry	EPIMERIC
Molecular Formula	C21H26ClNO2
Molecular Weight	359.89
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@](OCC[C@H]1CCC[N+]1(C)[O-])(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=PRZFEDGPQDFPLM-OJOWTSHBSA-N

InChI=1S/C21H26ClNO2/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)25-16-14-20-9-6-15-23(20,2)24/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-,23?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26ClNO2
Molecular Weight	359.89
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:52:14 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:14 GMT 2023`
Record UNII	CWA3QM596H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Clemastine N-Oxide

Common Name

English

(2R)-2-[2-[(1R)-1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine 1-oxide

Systematic Name

English

Pyrrolidine, 2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, 1-oxide, [R-(R*,R*)]

Systematic Name

English

Pyrrolidine, 2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methyl-, 1-oxide, (2R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

CWA3QM596H

Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023

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CAS

108825-05-4

Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023

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PUBCHEM

131667511

Created by admin on Sat Dec 16 19:52:14 GMT 2023 , Edited by admin on Sat Dec 16 19:52:14 GMT 2023

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