BISOPROLOL

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National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

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


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER -> LIGAND

Interaction Type:

BINDING

Amount:


					4A4MK4KIB5

BETA-1 ADRENERGIC RECEPTOR

TARGET -> AGONIST

Related Record Type Details


					9B44647H2S

O-(DESISOPROPYL) BISOPROLOL ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA; URINE


					4ANX22838L

O-(DESISOPROPYL)-O-(1-CARBOXYETHYL) BISOPROLOL

METABOLITE -> PARENT

Comments:

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.

Interaction Type:

IN-VITRO


					AS7314B2NH

4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)BENZOIC ACID

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA; URINE


					4ANX22838L

O-(DESISOPROPYL)-O-(1-CARBOXYETHYL) BISOPROLOL

METABOLITE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA; URINE


					9B44647H2S

O-(DESISOPROPYL) BISOPROLOL ACID

METABOLITE -> PARENT

Comments:

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.

Interaction Type:

IN-VITRO


					AS7314B2NH

4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)BENZOIC ACID

METABOLITE -> PARENT

Comments:

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.

Interaction Type:

IN-VITRO

Related Record Type Details


					Y41JS2NL6U

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC