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Details

Stereochemistry RACEMIC
Molecular Formula C18H31NO4
Molecular Weight 325.443
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISOPROLOL

SMILES

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

InChI

InChIKey=VHYCDWMUTMEGQY-UHFFFAOYSA-N
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C18H31NO4
Molecular Weight 325.443
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 10:29:56 UTC 2018
Edited
by admin
on Tue Mar 06 10:29:56 UTC 2018
Record UNII
Y41JS2NL6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISOPROLOL
INN   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
BISOPROLOL [USAN]
Common Name English
BISOPROLOL [VANDF]
Common Name English
BISOPROLOL [MI]
Common Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (+/-)-
Systematic Name English
(+/-)-1-((.ALPHA.-(2-ISOPROPOXYETHOXY)-P-TOLYL)OXY)-3-(ISOPROPYLAMINO)-2-PROPANOL
Common Name English
EMD 33 512
Code English
BISOPROLOL [JAN]
Common Name English
BISOPROLOL [WHO-DD]
Common Name English
BISOPROLOL [INN]
Common Name English
Classification Tree Code System Code
WHO-VATC QC07BB07
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ESSENTIAL MEDICINES LIST 12.4
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
LIVERTOX 111
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ATC C09BX02
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
NDF-RT N0000175556
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ESSENTIAL MEDICINES LIST 12.1
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ESSENTIAL MEDICINES LIST 12.3
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-VATC QC07AB57
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ATC C07FB07
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
NDF-RT N0000000161
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ATC C07BB07
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-VATC QC07AB07
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ATC C07AB07
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ATC C07AB57
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-VATC QC07FB07
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
WHO-ESSENTIAL MEDICINES LIST 12.2
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
Code System Code Type Description
EVMPD
SUB13096MIG
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
WIKIPEDIA
BISOPROLOL
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
LactMed
66722-44-9
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
RXCUI
19484
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY RxNorm
MESH
D017298
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
CAS
66722-44-9
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
PUBCHEM
2405
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY SWITZERF
DRUG BANK
DB00612
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
INN
5225
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
HSDB
66722-44-9
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
IUPHAR
7129
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
EPA CompTox
66722-44-9
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
MERCK INDEX
M2565
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY Merck Index
NCI_THESAURUS
C61653
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
ChEMBL
CHEMBL645
Created by admin on Tue Mar 06 10:29:56 UTC 2018 , Edited by admin on Tue Mar 06 10:29:56 UTC 2018
PRIMARY
Related Record Type Details
BINDER -> LIGAND
BINDING
TARGET -> AGONIST
Related Record Type Details
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
METABOLITE -> PARENT
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
METABOLITE -> PARENT
MINOR
PLASMA; URINE
METABOLITE -> PARENT
MINOR
PLASMA; URINE
METABOLITE -> PARENT
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
METABOLITE -> PARENT
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
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC