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

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 UTC 2023` Edited by `admin` on `Sat Dec 16 07:14:08 UTC 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