Basic information
- CAS
3583-64-0- Standard SMILES
CCCCC(C(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1- InChIKey
FLWFHHFTIRLFPV-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.16304257
Overview
Bumadizone is a carbohydrazide obtained by formal condensation of one of the carboxy groups from butylmalonic acid with the hydrazino group of 1,2-diphenylhydrazine. Used (as its calcium semihydrate) for treatment of rheumatoid arthritis. It has a role as a non-steroidal anti-inflammatory drug and an antipyretic. It is a monocarboxylic acid and a carbohydrazide. It is functionally related to a malonic acid. It is a conjugate acid of a bumadizone(1-).
Names & identifiers
- Preferred name
- Bumadizone
- IUPAC
- 2-[anilino(phenyl)carbamoyl]hexanoic acid
- English name
- bumadizone
- Molecular formula
- C19H22N2O3
- Molecular weight
- 326.39
Names & synonyms
BumadizoneBumadizon3583-64-0BumadizonaBumadizonumButylmalonic acid mono(1,2-diphenylhydrazide)n-Butylmalonic acid N,N'-diphenylhydrazideATD81G944M2-(N,N'-diphenylhydrazinecarbonyl)hexanoic acidB-64114DTXSID0022698CHEBI:76119
Show more names
Butazone EP Impurity AIKCNUEPHJHLSPG-UHFFFAOYSA-NN-(2-Carboxycaproyl)hydrazobenzene(2RS)-2-[(1,2-Diphenyldiazanyl)carbPhenylbutazone EP Impurity A (Bumadizone)Butylmalonic acid 1-(N,N'-diphenyl hydrazide)
RefChem:121893DTXCID302698M01AB07butylmalonic acid mono-(1,2-diphenylhydrazide)222-710-12-[anilino(phenyl)carbamoyl]hexanoic acidPhenylbutazone EP Impurity ABumadizone (INN)
Database identifiers
- CAS
3583-64-0- PubChem CID
- 19161
- DTXSID
DTXSID0022698- ChEMBL
CHEMBL2105456
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 117 · 117-119℃
- Boiling point
- 487.4 · 487.4±47.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 3.69 · 3.69±0.21(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 81 G944M · ATD81G944M
- ATC code
- 1 AB07 · M01AB07
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
UsesBumadizon, is a non-steroidal anti-inflammatory (NSAID) drug.
Upstream & downstream products
Upstream raw materials
Suppliers25 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…