TRAXOPRODIL MESYLATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO3.CH4O3S
Molecular Weight	423.523
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRAXOPRODIL MESYLATE ANHYDROUS

Structure Search

SMILES

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=OZBWUANKVIMZIA-WRRDZZDISA-N

InChI=1S/C20H25NO3.CH4O3S/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:45:07 UTC 2023` Edited by `admin` on `Sat Dec 16 05:45:07 UTC 2023`
Record UNII	I23V4CCC9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRAXOPRODIL MESYLATE ANHYDROUS

Common Name

English

Traxoprodil mesilate [WHO-DD]

Common Name

English

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

Common Name

English

TRAXOPRODIL MESILATE

Common Name

English

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

Common Name

English

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

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40172230

Created by admin on Sat Dec 16 05:45:07 UTC 2023 , Edited by admin on Sat Dec 16 05:45:07 UTC 2023

PRIMARY

FDA UNII

I23V4CCC9V

Created by admin on Sat Dec 16 05:45:07 UTC 2023 , Edited by admin on Sat Dec 16 05:45:07 UTC 2023

PRIMARY

CAS

188591-67-5

Created by admin on Sat Dec 16 05:45:07 UTC 2023 , Edited by admin on Sat Dec 16 05:45:07 UTC 2023

PRIMARY

PUBCHEM

9802399

Created by admin on Sat Dec 16 05:45:07 UTC 2023 , Edited by admin on Sat Dec 16 05:45:07 UTC 2023

PRIMARY

Related Record Type Details


					BD2A56I30W

TRAXOPRODIL MESYLATE

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					UTC046R5HM

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