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4-Acetylaminoantipyrine

4-Acetylaminoantipyrine structure

CAS No:
83-15-8
Formula:
C13H15N3O2
Chemical Name:
4-Acetylaminoantipyrine
Synonyms:
Acetamide,N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-;Acetamide,N-antipyrinyl-;Antipyrine,4-acetamido-;N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide;4-Acetamidoantipyrine;N-Acetyl-4-aminoantipyrine;4-Acetylaminoantipyrine;Acetylaminoantipyrine;4-Acetoaminoantipyrine;4-Acetylaminophenazone;N-Antipyrinylacetamide;4-Acetaminoantipyrine;N-Acetyl-4-aminophenazone;4-(N-Acetylamino)antipyrine;4-Acetamido-2,3-dimethyl-1-phenylpyrazol-5-one;NSC 331807
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

yellow powder

4-acetamidoantipyrine is a member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of pyrazoles and a member of acetamides. It derives from an antipyrine.

4-Acetylaminoantipyrine Basic Attributes

Molecular Weight：

245.28

Exact Mass：

245.28

EC Number：

201-457-0

UNII：

535H9N144Z

NSC Number：

331807

DSSTox ID：

DTXSID40232106

ATC Code：

N02BB02

HScode：

2933199090

Characteristics

PSA：

52.6

XLogP3：

0.28

Appearance：

yellow powder

Density：

1.2±0.1 g/cm3

Melting Point：

198-199 °C

Boiling Point：

380.7±52.0 °C at 760 mmHg

Flash Point：

184.0±30.7 °C

Refractive Index：

1.600

Storage Conditions：

-20°C Freezer

Collision Cross Section：

154.06 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Drug Transformations：

4-Acetamidoantipyrine has known transformation products that include 4-Aminoantipyrine.

MeSH Entry Terms：

4-acetylaminoantipyrine

4-Acetylaminoantipyrine Use and Manufacturing

Uses

A labelled metabolite of Metamizol. Metabolism of Metamizol in early stages of the incubated hen's egg.

Use Classification：

Pharmaceuticals -> Nervous System -> Analgesics -> Pyrazolones -> Transformation products

Computed Properties

Molecular Weight:245.28
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:245.116426730
Monoisotopic Mass:245.116426730
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Complexity:397
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Acetylaminoantipyrine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

4-Acetylaminoantipyrine

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