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Details

Stereochemistry RACEMIC
Molecular Formula C15H23NO5
Molecular Weight 297.3468
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-(DESISOPROPYL) BISOPROLOL ACID

SMILES

CC(C)NCC(O)COC1=CC=C(COCC(O)=O)C=C1

InChI

InChIKey=ZEAYEMJBEYLWSQ-UHFFFAOYSA-N
InChI=1S/C15H23NO5/c1-11(2)16-7-13(17)9-21-14-5-3-12(4-6-14)8-20-10-15(18)19/h3-6,11,13,16-17H,7-10H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H23NO5
Molecular Weight 297.3468
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:07:06 UTC 2023
Edited
by admin
on Sat Dec 16 09:07:06 UTC 2023
Record UNII
9B44647H2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-(DESISOPROPYL) BISOPROLOL ACID
Common Name English
ACETIC ACID, 2-((4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)METHOXY)-
Systematic Name English
BISOPROLOL (M1)
Common Name English
ACETIC ACID, ((4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)METHOXY)-
Systematic Name English
((4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)METHOXY)ACETIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91810600
Created by admin on Sat Dec 16 09:07:06 UTC 2023 , Edited by admin on Sat Dec 16 09:07:06 UTC 2023
PRIMARY
CAS
109791-19-7
Created by admin on Sat Dec 16 09:07:06 UTC 2023 , Edited by admin on Sat Dec 16 09:07:06 UTC 2023
PRIMARY
FDA UNII
9B44647H2S
Created by admin on Sat Dec 16 09:07:06 UTC 2023 , Edited by admin on Sat Dec 16 09:07:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
The AUC and elimination half-life of (S)-(-)-bisoprolol were slightly larger than those of (R)-(+)-bisoprolol. In vitro: stereoselectively of CYP2D6 (R > S) and CYP3A4 was not stereoselective.
IN-VITRO