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4-(Formylamino)antipyrine

4-(Formylamino)antipyrine structure

CAS No:
1672-58-8
Formula:
C12H13N3O2
Chemical Name:
4-(Formylamino)antipyrine
Synonyms:
Formamide,N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-;Formamide,N-antipyrinyl-;N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamide;4-Formamidoantipyrine;N-Antipyrinylformamide;4-(Formylamino)antipyrine;NSC 60565
Categories:
Analytical Chemistry > Analysis Reagents

Description

Light Tan SolidChEBI: A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone.

4-formylaminoantipyrine is a pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a pyrazolone and a member of formamides.

4-(Formylamino)antipyrine Basic Attributes

Molecular Weight：

231.25052

Exact Mass：

231.25

EC Number：

216-808-3

UNII：

63DKU1M0XK

NSC Number：

60565

DSSTox ID：

DTXSID10168241

ATC Code：

N02BB03

HScode：

2933199090

Characteristics

PSA：

52.6

XLogP3：

Density：

1.29±0.1 g/cm3 (20 ºC 760 Torr)

Melting Point：

189-192°C

Boiling Point：

400.1±55.0 °C(Predicted)

Flash Point：

180.3±30.7 °C

Refractive Index：

1.609

Storage Conditions：

Refrigerator

Vapor Pressure：

1.31E-06mmHg at 25°C

Collision Cross Section：

147.56 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/22

Marks：

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P271, P284, P301+P312, P304+P340, P310, P320, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Transformations：

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

MeSH Entry Terms：

4-formylaminoantipyrine

4-(Formylamino)antipyrine Use and Manufacturing

Methods of Manufacturing

It is prepared by formylation with aminoantipyrine.

Uses

A metabolite of Dipyrone, a nonsteroidal anti-inflammatory drug.

Use Classification：

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

Computed Properties

Molecular Weight:231.25
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:231.100776666
Monoisotopic Mass:231.100776666
Topological Polar Surface Area:52.6
Heavy Atom Count:17
Complexity:359
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Formic acid

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Guide of 4-(Formylamino)antipyrine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
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4-(Formylamino)antipyrine

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