Esoxybutynin Chloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31NO3.ClH
Molecular Weight	393.947
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SWIJYDAEGSIQPZ-VZYDHVRKSA-N

InChI=1S/C22H31NO3.ClH/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;1H/t22-;/m1./s1

HIDE SMILES / InChI

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

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 `Fri Dec 15 15:05:08 UTC 2023` Edited by `admin` on `Fri Dec 15 15:05:08 UTC 2023`
Record UNII	S547MDN7WX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Esoxybutynin Chloride

Official Name

English

OXYBUTYNIN CHLORIDE, (S)-

Common Name

English

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

Systematic Name

English

BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-.ALPHA.-HYDROXY-, 4-(DIETHYLAMINO)-2-BUTYNYL ESTER, HYDROCHLORIDE, (.ALPHA.S)-

Common Name

English

ESOXYBUTYNIN HYDROCHLORIDE

Common Name

English

4-(Diethylamino)but-2-ynyl (2S)-cyclohexylhydroxyphenylacetate hydrochloride

Systematic Name

English

OXYBUTYNIN HYDROCHLORIDE, (+)-

Common Name

English

ESOXYBUTYNIN CHLORIDE [USAN]

Common Name

English

OXYBUTYNIN HYDROCHLORIDE, (S)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29704