BOMETOLOL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H32N2O7
Molecular Weight	472.5308
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BOMETOLOL

Structure Search

SMILES

COC1=C(OC)C=C(CCNCC(O)COC2=CC=C(OCC(C)=O)C3=C2CCC(=O)N3)C=C1

InChI

InChIKey=IXJJPGSXJXQFGI-UHFFFAOYSA-N

InChI=1S/C25H32N2O7/c1-16(28)14-33-22-8-7-20(19-5-9-24(30)27-25(19)22)34-15-18(29)13-26-11-10-17-4-6-21(31-2)23(12-17)32-3/h4,6-8,12,18,26,29H,5,9-11,13-15H2,1-3H3,(H,27,30)

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6117612

Bometolol is a cardiospecific beta-adrenergic blocking drug that was never marketed.

Approval Year

PubMed

PubMed

Title	Date	PubMed

Name

Type

Language

BOMETOLOL

Official Name

English

(±)-8-(ACETONYLOXY)-5-(3-((3,4-DIMETHOXYPHENETHYL)AMINO)-2-HYDROXYPROPOXY)-3,4-DIHYDROCARBOSTYRIL

Common Name

English

BOMETOLOL [JAN]

Common Name

English

bometolol [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29576

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

Code System Code Type Description

PUBCHEM

68850

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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EVMPD

SUB05872MIG

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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SMS_ID

100000086329

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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INN

4744

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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MESH

C022190

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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NCI_THESAURUS

C72610

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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EPA CompTox

DTXSID30867108

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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CAS

65008-93-7

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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ChEMBL

CHEMBL1742442

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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FDA UNII

55QM6Y09ZY

Created by admin on Fri Dec 15 16:23:44 GMT 2023 , Edited by admin on Fri Dec 15 16:23:44 GMT 2023

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ACTIVE MOIETY


					55QM6Y09ZY

BOMETOLOL