2-ACETYL-4-BUTYRAMIDOPHENOL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ACETYL-4-BUTYRAMIDOPHENOL

Structure Search

SMILES

CCCC(=O)NC1=CC(C(C)=O)=C(O)C=C1

InChI

InChIKey=FGWZEOPEZISTTR-UHFFFAOYSA-N

InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)

HIDE SMILES / InChI

Molecular Formula	C12H15NO3
Molecular Weight	221.2524
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25977108

N-(3-Acetyl-4-hydroxyphenyl)butanamide is a key intermediate for the synthesis of β1-selective blocker acebutolol.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Biocatalytic Approach for the Synthesis of Enantiopure Acebutolol as a β₁-Selective Blocker.	2015 Jun	25977108

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:14:08 GMT 2023` Edited by `admin` on `Sat Dec 16 07:14:08 GMT 2023`
Record UNII	14QJB65R4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-ACETYL-4-BUTYRAMIDOPHENOL

Systematic Name

English

ACEBUTOLOL RELATED COMPOUND A [USP IMPURITY]

Common Name

English

BUTANAMIDE, N-(3-ACETYL-4-HYDROXYPHENYL)-

Systematic Name

English

N-(3-ACETYL-4-HYDROXYPHENYL)BUTYRAMIDE

Systematic Name

English

N-(3-ACETYL-4-HYDROXYPHENYL)BUTANAMIDE

Systematic Name

English

3'-ACETYL-4'-HYDROXYBUTYRANILIDE

Systematic Name

English

ACEBUTOLOL HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Common Name

English

ACEBUTOLOL RELATED COMPOUND A [USP-RS]

Common Name

English

Code System Code Type Description

CAS

40188-45-2