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Merck
CN

B4027

Bucetin

analytical standard

Synonym(s):

3-Hydroxy-p-butyrophenetidide, N-(4-Ethoxyphenyl)-3-hydroxybutanamide

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About This Item

Empirical Formula (Hill Notation):
C12H17NO3
CAS Number:
1083-57-4
Molecular Weight:
223.27
NACRES:
NA.24
PubChem Substance ID:
329773226
UNSPSC Code:
41116107
EC Number:
214-109-8
MDL number:
MFCD00021906

Key Documents

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InChI key

LIAWQASKBFCRNR-UHFFFAOYSA-N

InChI

1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)

SMILES string

CCOc1ccc(NC(=O)CC(C)O)cc1

grade

analytical standard

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

Quality Level

200

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Carc. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

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[Biopharmaceutical studies of drugs (7). Inhibitory effect of urea derivatives on de-ethylation of O-ethoxybenzamide and N-(beta-hydroxybutyryl)-p-phenetidine].
K Kigasawa et al.
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 103(5), 566-572 (1983-05-01)
[Biopharmaceutical studies of drugs (6). Effect of 2-bromo-isovalerylurea on serum concentrations of O-ethoxybenzamide and N-(beta-hydroxybutyryl)-p-phenetidine in rabbits].
K Kigasawa et al.
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 103(5), 559-565 (1983-05-01)
[Biopharmaceutical studies of drugs. III. Serum concentration level of o-ethoxybenzamide and N-(beta-hydroxybutyryl)-p-phenetidine after simultaneous administration to rabbit (author's transl)].
K Kigasawa et al.
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 101(6), 556-566 (1981-06-01)
Mechanism of metabolic activation of the analgetic bucetin to bacterial mutagens by hamster liver microsomes.
T Nohmi et al.
Chemical & pharmaceutical bulletin, 33(7), 2877-2885 (1985-07-01)
Xiaomin Liang et al.
Drug metabolism and disposition: the biological fate of chemicals, 48(12), 1283-1292 (2020-10-11)
It is well documented that human hepatic clearance based on in vitro metabolism or transporter assays systematically resulted in underprediction; therefore, large empirical scalars are often needed in either static or physiologically based pharmacokinetic (PBPK) models to accurately predict human
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