BISOPROLOL

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

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	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical
Record UNII	Y41JS2NL6U
Record Status	`Validated (UNII)`
Record Version

Show entries

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

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Classification Tree

Code System

Code

Beta blocking agents, selective, and thiazides

WHO-VATC

QC07BB07

Adrenergic Antagonist

NCI_THESAURUS

C29576

Cardiovascular medicines

WHO-ESSENTIAL MEDICINES LIST

12.4

Antihypertensive

LIVERTOX

NBK548471

ACE inhibitors, other combinations

WHO-ATC

C09BX02

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Code System

Code

Type

Description

SMS_ID

100000092277

PRIMARY

EVMPD

SUB13096MIG

PRIMARY

FDA UNII

Y41JS2NL6U

PRIMARY

DAILYMED

Y41JS2NL6U

PRIMARY

CHEBI

3127

PRIMARY

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Related Record

Type

Details


					L68D148Q8N

BISOPROLOL, (R)-

ENANTIOMER -> RACEMATE


					N0P2X2L8U0

BISOPROLOL, (S)-

ENANTIOMER -> RACEMATE


					U057CX04H0

BISOPROLOL MONOFUMARATE

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

30 % (average)


					UR59KN573L

BISOPROLOL FUMARATE

SALT/SOLVATE -> PARENT

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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

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Related Record

Type

Details


					Y41JS2NL6U

BISOPROLOL

ACTIVE MOIETY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC	[9 to 12] hours (average)