Esoxybutynin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31NO3
Molecular Weight	357.4864
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CC#CCOC(=O)[C@](O)(C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=XIQVNETUBQGFHX-JOCHJYFZSA-N

InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H31NO3
Molecular Weight	357.4864
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:09:16 UTC 2023` Edited by `admin` on `Sat Dec 16 00:09:16 UTC 2023`
Record UNII	39EY4NVB8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Esoxybutynin

Official Name

English

Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-2-butyn-1-yl ester, (αS)-

Systematic Name

English

esoxybutynin [INN]

Common Name

English

OXYBUTYNIN, (S)-

Common Name

English

4-(diethylamino)but-2-yn-1-yl (S)-cyclohexyl(hydroxy)(phenyl)acetate

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C166661