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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27NO4.ClH
Molecular Weight 381.8943
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEVANTOLOL HYDROCHLORIDE, (S)-

SMILES

Cc1cccc(c1)OC[C@]([H])(CNCCc2ccc(c(c2)OC)OC)O.Cl

InChI

InChIKey=FJTKCFSPYUMXJB-LMOVPXPDSA-N
InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H/t17-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H27NO4
Molecular Weight 345.4334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:40:32 UTC 2021
Edited
by admin
on Fri Jun 25 20:40:32 UTC 2021
Record UNII
315943SK12
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEVANTOLOL HYDROCHLORIDE, (S)-
Common Name English
2-PROPANOL, 1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(3-METHYLPHENOXY)-, HYDROCHLORIDE, (S)-
Systematic Name English
Code System Code Type Description
CAS
152510-37-7
Created by admin on Fri Jun 25 20:40:32 UTC 2021 , Edited by admin on Fri Jun 25 20:40:32 UTC 2021
PRIMARY
PUBCHEM
45266839
Created by admin on Fri Jun 25 20:40:32 UTC 2021 , Edited by admin on Fri Jun 25 20:40:32 UTC 2021
PRIMARY
FDA UNII
315943SK12
Created by admin on Fri Jun 25 20:40:32 UTC 2021 , Edited by admin on Fri Jun 25 20:40:32 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER