BOMETOLOL

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 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

Molecular Formula	C25H32N2O7
Molecular Weight	472.5308
Charge	0
Count

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

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

Title	Date	PubMed
Hypotensive action of OPC-1427, a new beta-adrenergic blocking agent in rats.	1979 Aug	41497
Syntheses and beta-adrenergic blocking activities of the optical isomers of 8-acetonyloxyl-5-[3-(3,4-dimethoxyphenethylamino)-2-hydroxypropoxy]-3,4-dihydrocarbostyril.	1981 Aug	6119164
Acute and subchronic effects of bometolol on blood pressure in hypertensive rats.	1981 Jul	6117612

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:23:44 GMT 2023` Edited by `admin` on `Fri Dec 15 16:23:44 GMT 2023`
Record UNII	55QM6Y09ZY
Record Status	`Validated (UNII)`
Record Version

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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