Basic information
- CAS
129-81-7- Standard SMILES
Cc1c(I)c(=O)n(-c2ccccc2)n1C- InChIKey
ZZOBLCHCPLOXCE-UHFFFAOYSA-N- Molecular formula
- C11H11IN2O
- Average molar mass
- 314.12 g/mol
- Monoisotopic mass
- 313.99161
Names & identifiers
- Preferred name
- 4-Iodoantipyrine
- IUPAC
- 4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- Iodoantipyrine
- Molecular formula
- C11H11IN2O
- Molecular weight
- 314.12
Names & synonyms
IODOANTIPYRINE129-81-74-IodoantipyrineIodopyrineAntipyrine iodideIodophenazone3H-Pyrazol-3-one, 1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-Antipyrine, 4-iodo-DTXSID7046047V30V6H1QX4DTXCID50260471,2-Dihydro-4-iodo-1,5-dimethyl-2-phenyl-2H-pyrazol-3-one
Show more names
arthripurjodopyrinejodantipyrine4-IODOPHENAZONE4-IODOANALGESINEantipyrineiodide
RefChem:148511204-966-6MFCD000407204-iodo-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one4-Iodo-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-Iodo-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one1,2-Dihydro-4-iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one
Database identifiers
- CAS
129-81-7- PubChem CID
- 8522
- DTXSID
DTXSID7046047- ChEMBL
CHEMBL24132- UNII
- V30V6H1QX4
- EC Number
- 204-966-6
- Nikkaji
- J10.047A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
LogP1.27
Physicochemical properties
- Melting point
- 161 · 161-163°C
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- color
- Pale yellow
- Sensitive
- Light Sensitive
- BRN
- 181670 · 181670
- CAS DataBase Reference
- 129 · 129-81-7(CAS DataBase Reference)
- FDA 21 CFR
- 310.545 · 310.545
- FDA UNII
- 30 V6H1QX4 · V30V6H1QX4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 303 · H303-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- rtecs
- UQ9080000
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H303-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
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.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Applications
UsesIodoantipyrine (4-Iodoantipyrine) is an iodinated Antipyrine (HY-B0171) with potential antiviral activity. Antipyrine (Phenazone) is an antipyretic and analgesic that also serves as a molecular probe of hepatic oxidative metabolites[1][2].
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
济南德迈医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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