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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

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

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
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 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
  • Download
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
Created by admin on Sat Dec 16 07:14:08 GMT 2023 , Edited by admin on Sat Dec 16 07:14:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-831-0
Created by admin on Sat Dec 16 07:14:08 GMT 2023 , Edited by admin on Sat Dec 16 07:14:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID7057737
Created by admin on Sat Dec 16 07:14:08 GMT 2023 , Edited by admin on Sat Dec 16 07:14:08 GMT 2023
PRIMARY
PUBCHEM
736331
Created by admin on Sat Dec 16 07:14:08 GMT 2023 , Edited by admin on Sat Dec 16 07:14:08 GMT 2023
PRIMARY
RS_ITEM_NUM
1000612
Created by admin on Sat Dec 16 07:14:08 GMT 2023 , Edited by admin on Sat Dec 16 07:14:08 GMT 2023
PRIMARY
FDA UNII
14QJB65R4V
Created by admin on Sat Dec 16 07:14:08 GMT 2023 , Edited by admin on Sat Dec 16 07:14:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP