Basic information
- CAS
27470-51-5- Standard SMILES
CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O- InChIKey
ONWXNHPOAGOMTG-UHFFFAOYSA-N- Molecular formula
- C24H26N2O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.17908655
Overview
Suxibuzone is a pyrazolidine that is phenylbutazone which is substituted by a 3-carboxypropanoylmethyl group at the 4-position. Suxibuzone is a prodrug for phenylbutazone and is commonly used as an anti-inflammatory drug in horses. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug and a prodrug. It is a hemisuccinate, a monocarboxylic acid and a member of pyrazolidines.
Names & identifiers
- Preferred name
- Suxibuzone
- IUPAC
- 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid
- English name
- 4-BUTYL-4-[HYDROXYMETHYL]-1,2-DIPHENYL-3,5-PYRAZOLIDINEDIONE HYDROGEN SUCCINATE [ESTER]
- Molecular formula
- C24H26N2O6
- Molecular weight
- 438.47
Names & synonyms
suxibuzone27470-51-5SuxibuzonaSuxibuzonum4-((4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy)-4-oxobutanoic acid4-Hydroxymethylbutazolidine hemisuccinateDTXSID60212964-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid86TDZ5WP2B4-Butyl-4-hydroxymethyl-1,2-diphenyl-3,5-pyrazolidinedione hydrogen succinateNSC-757866CHEBI:32173
Show more names
ae-17alfidesolurolAfloganlidinedione
DTXCID601296RefChem:8900701,2-Diphenyl-4-n-butyl-4-hydroxymethyl-3,5-dioxopyrazolidine Hemisuccinate4-butyl-4-(beta-carboxypropionyloxymethyl)-1,2-diphenyl-3,5-pyrazolidinedioneM02AA22248-477-6CalibeneFlogos
Database identifiers
- CAS
27470-51-5- PubChem CID
- 5362
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 661
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Collision Cross Section
204.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6021296]
199.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
202.05 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 126 · 126-127°
- Boiling point
- 550.33 °C · 550.33°C (rough estimate)
- Density
- 1.2847 · 1.2847 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Practically insoluble in water, freely soluble in acetone, soluble in ethanol (96 per cent), practically insoluble in cyclohexane.
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]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- WM9640000
- Toxicity
- LD50 orally in mice: 5.683 micromol/kg (Esteve, 1973)
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P280-P301+P312+P330
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - 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.
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
Usesanalgesic, antipyretic, antiinflammatory
UsesSuxibuzone is a prodrug of the non steroidal anti inflammatory drug phenylbutazone. It is a drug used for joint and muscular pain.
Suppliers55 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
绍兴恒创合益生物科技有限公司15158234258 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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