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

Details

Stereochemistry	UNKNOWN
Molecular Formula	C18H29NO6
Molecular Weight	355.426
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=SABXUALGJDKAEK-UHFFFAOYSA-N

InChI=1S/C18H29NO6/c1-13(2)19-10-16(20)12-25-17-6-4-15(5-7-17)11-23-8-9-24-14(3)18(21)22/h4-7,13-14,16,19-20H,8-12H2,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula	C18H29NO6
Molecular Weight	355.426
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:28 UTC 2023` Edited by `admin` on `Sat Dec 16 09:09:28 UTC 2023`
Record UNII	4ANX22838L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

BISOPROLOL (M2)

Common Name

English

PROPANOIC ACID, 2-(2-((4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)METHOXY)ETHOXY)-

Systematic Name

English

Code System Code Type Description

CAS

109791-17-5

Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023

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FDA UNII

4ANX22838L

Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023

PRIMARY

PUBCHEM

91810599

Created by admin on Sat Dec 16 09:09:28 UTC 2023 , Edited by admin on Sat Dec 16 09:09:28 UTC 2023

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Related Record Type Details


					Y41JS2NL6U

BISOPROLOL

PARENT -> METABOLITE

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