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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23NO6.CH4O3S
Molecular Weight 469.505
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENDACALOL MESYLATE

SMILES

CS(O)(=O)=O.[H][C@@]1(COC2=CC=CC=C2O1)[C@@H](O)CNC[C@@H](O)[C@]3([H])COC4=C(O3)C=CC=C4

InChI

InChIKey=TWESTNYMJIMXRF-AIMMJYJASA-N
InChI=1S/C20H23NO6.CH4O3S/c22-13(19-11-24-15-5-1-3-7-17(15)26-19)9-21-10-14(23)20-12-25-16-6-2-4-8-18(16)27-20;1-5(2,3)4/h1-8,13-14,19-23H,9-12H2;1H3,(H,2,3,4)/t13-,14+,19+,20-;

HIDE SMILES / InChI

Approval Year

Name Type Language
BENDACALOL MESYLATE
USAN  
USAN  
Official Name English
BENDACALOL MESYLATE [USAN]
Common Name English
1,4-BENZODIOXIN-2-METHANOL, .ALPHA.,.ALPHA.'-(IMINOBIS(METHYLENE))BIS(2,3-DIHYDRO-, (2R*(S*(R*(S*))))-, METHANESULPHONATE (SALT)
Common Name English
CGS-10078B
Code English
1,4-BENZODIOXIN-2-METHANOL, .ALPHA.,.ALPHA.'-(IMINOBIS(METHYLENE))BIS(2,3-DIHYDRO-, (2R*(S*(R*(S*))))-, METHANESULFONATE (SALT)
Common Name English
CGS 10078B
Code English
BENDACALOL MESILATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C72900
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
Code System Code Type Description
PUBCHEM
10434825
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY
CAS
81737-62-4
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110643
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY
NCI_THESAURUS
C79990
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID101002175
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY
FDA UNII
5KP3ZO1VLL
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY
USAN
W-64
Created by admin on Fri Dec 15 15:48:00 UTC 2023 , Edited by admin on Fri Dec 15 15:48:00 UTC 2023
PRIMARY