METALOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H18N2O3S
Molecular Weight	258.337
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METALOL

Structure Search

SMILES

CN[C@@H](C)[C@H](O)C1=CC=C(NS(C)(=O)=O)C=C1

InChI

InChIKey=YTDJNWMSAAWJDD-KWQFWETISA-N

InChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3/t8-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C11H18N2O3S
Molecular Weight	258.337
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6006227 | https://www.ncbi.nlm.nih.gov/pubmed/620096 | https://link.springer.com/book/10.1007/978-1-4757-2085-3#about

Metalol is an antagonist at beta-adrenergic receptors.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Sulfonanilides. I. Monoalkyl- and arylsulfonamidophenethanolamines.	1966 Jan	6006227
Characterization of the adrenoceptor in the isolated cremaster muscle of the guinea-pig.	1978 Jan	620096

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:20:14 UTC 2023` Edited by `admin` on `Fri Dec 15 15:20:14 UTC 2023`
Record UNII	D2FRF5KF8C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METALOL

Common Name

English

THREO-METALOL

Common Name

English

METHANESULFONAMIDE, N-(4-(1-HYDROXY-2-(METHYLAMINO)PROPYL)PHENYL)-, (R*,S*)-

Systematic Name

English

METHANESULFONAMIDE, N-(4-((1R,2S)-1-HYDROXY-2-(METHYLAMINO)PROPYL)PHENYL)-, REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

D2FRF5KF8C

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

PRIMARY

EPA CompTox

DTXSID00998296

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

PRIMARY

PUBCHEM

72710680

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

PRIMARY

EVMPD

SUB37706

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

PRIMARY

SMS_ID

100000129217

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

PRIMARY

CAS

7701-65-7

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

53562-73-5

Created by admin on Fri Dec 15 15:20:14 UTC 2023 , Edited by admin on Fri Dec 15 15:20:14 UTC 2023

PRIMARY

Related Record Type Details


					D2FRF5KF8C

METALOL

ACTIVE MOIETY