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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15NO3
Molecular Weight 221.2529
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-ACETYL-4-HYDROXYPHENYL)BUTANAMIDE

SMILES

CCCC(=Nc1ccc(c(c1)C(=O)C)O)O

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 221.2529
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Originator

Sources: Experientia (1972), 28, (12), 1404.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Biocatalytic Approach for the Synthesis of Enantiopure Acebutolol as a β₁-Selective Blocker.
2015 Jun
Patents

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 Jun 26 13:36:00 UTC 2021
Edited
by admin
on Sat Jun 26 13:36:00 UTC 2021
Record UNII
14QJB65R4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-ACETYL-4-HYDROXYPHENYL)BUTANAMIDE
Systematic Name English
ACEBUTOLOL RELATED COMPOUND A
USP-RS  
Common Name English
BUTANAMIDE, N-(3-ACETYL-4-HYDROXYPHENYL)-
Systematic Name English
ACEBUTOLOL RELATED COMPOUND A [USP]
Common Name English
N-(3-ACETYL-4-HYDROXYPHENYL)BUTYRAMIDE
Systematic Name English
ACEBUTOLOL HYDROCHLORIDE IMPURITY C [EP]
Common Name English
2-ACETYL-4-BUTYRAMIDOPHENOL
Systematic Name English
3'-ACETYL-4'-HYDROXYBUTYRANILIDE
Systematic Name English
ACEBUTOLOL RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
CAS
40188-45-2
Created by admin on Sat Jun 26 13:36:00 UTC 2021 , Edited by admin on Sat Jun 26 13:36:00 UTC 2021
PRIMARY
ECHA (EC/EINECS)
254-831-0
Created by admin on Sat Jun 26 13:36:00 UTC 2021 , Edited by admin on Sat Jun 26 13:36:00 UTC 2021
PRIMARY
EPA CompTox
40188-45-2
Created by admin on Sat Jun 26 13:36:00 UTC 2021 , Edited by admin on Sat Jun 26 13:36:00 UTC 2021
PRIMARY
PUBCHEM
736331
Created by admin on Sat Jun 26 13:36:00 UTC 2021 , Edited by admin on Sat Jun 26 13:36:00 UTC 2021
PRIMARY
FDA UNII
14QJB65R4V
Created by admin on Sat Jun 26 13:36:00 UTC 2021 , Edited by admin on Sat Jun 26 13:36:00 UTC 2021
PRIMARY
USP_CATALOG
1000612
Created by admin on Sat Jun 26 13:36:00 UTC 2021 , Edited by admin on Sat Jun 26 13:36:00 UTC 2021
PRIMARY USP-RS
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP