U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of BITOLTEROL MESYLATE, (S)-

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

Approval Year

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