TRAXOPRODIL MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO3.CH4O3S.3H2O
Molecular Weight	477.569
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.CS(O)(=O)=O.C[C@@H]([C@@H](O)C1=CC=C(O)C=C1)N2CCC(O)(CC2)C3=CC=CC=C3

InChI

InChIKey=LUILKELNVBKKTG-ZOZJKLBQSA-N

InChI=1S/C20H25NO3.CH4O3S.3H2O/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4;;;/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4);3*1H2/t15-,19+;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C20H25NO3
Molecular Weight	327.4174
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
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 `Fri Dec 15 15:36:24 UTC 2023` Edited by `admin` on `Fri Dec 15 15:36:24 UTC 2023`
Record UNII	BD2A56I30W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRAXOPRODIL MESYLATE

Official Name

English

1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)-.BETA.-METHYL-4-PHENYL-, (.ALPHA.S,.BETA.S)-, METHANESULFONATE, HYDRATE (1:1:3)

Common Name

English

CP-101606-27

Code

English

TRAXOPRODIL MESILATE HYDRATE

Common Name

English

TRAXOPRODIL MESILATE TRIHYDRATE

Common Name

English

(αS,βS)-4-Hydroxy-α-(P-hydroxyphenyl)-β-methyl-4-phenyl-1-piperidineethanol methanesulfonate (salt), trihydrate

Common Name

English

TRAXOPRODIL MESYLATE TRIHYDRATE

Common Name

English

Traxoprodil mesilate hydrate [WHO-DD]

Common Name

English

CP-101,606-27

Code

English

TRAXOPRODIL MESYLATE [USAN]

Common Name

English

1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)-.BETA.-METHYL-4-PHENYL-, (S-(R*,R*))-, METHANESULFONATE (SALT), TRIHYDRATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707