BITOLTEROL MESYLATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31NO5.CH4O3S
Molecular Weight	557.655
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC1=CC=C(C=C1)C(=O)OC2=C(OC(=O)C3=CC=C(C)C=C3)C=C(C=C2)[C@H](O)CNC(C)(C)C

InChI

InChIKey=HODFCFXCOMKRCG-GNAFDRTKSA-N

InChI=1S/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)/t23-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C28H31NO5
Molecular Weight	461.5494
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:56:12 UTC 2023` Edited by `admin` on `Sat Dec 16 10:56:12 UTC 2023`
Record UNII	W729U0RJN5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BITOLTEROL MESYLATE, (S)-

Common Name

English

BENZOIC ACID, 4-METHYL-, 1,1'-(4-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,2-PHENYLENE) ESTER, METHANESULFONATE (1:1), (S)-

Systematic Name

English

BITOLTEROL MESILATE, (S)-

Common Name

English

Code System Code Type Description

PUBCHEM

45266851

Created by admin on Sat Dec 16 10:56:12 UTC 2023 , Edited by admin on Sat Dec 16 10:56:12 UTC 2023

PRIMARY

FDA UNII

W729U0RJN5

Created by admin on Sat Dec 16 10:56:12 UTC 2023 , Edited by admin on Sat Dec 16 10:56:12 UTC 2023

PRIMARY

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BITOLTEROL MESYLATE

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