Basic information
- CAS
36298-23-4- Standard SMILES
CCCCc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O.CCCCc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O.[Ca+2]- InChIKey
XMVFRSAMWBGRNR-UHFFFAOYSA-L- Molecular formula
- C38H38CaN4O4
- Average molar mass
- 654.8 g/mol
- Monoisotopic mass
- 654.2518966
Names & identifiers
- Preferred name
- Phenylbutazone calcium
- IUPAC
- calcium bis(4-butyl-5-oxo-1,2-diphenylpyrazol-3-olate)
- English name
- Phenylbutazone calcium
- Molecular formula
- C19H19CaN2O2+
- Molecular weight
- 347.45
Names & synonyms
Phenylbutazone calcium70145-60-7Phenylbutazone calcium saltButazolidin calciumCalcium phenylbutazoneRD7H6MM2DLEINECS 274-335-8DA-241Peralgin (TN)TICINIL CALCICOP 2411,2-Diphenyl-4-butyl-3,5-diketopyrazolidine calcium salt
Show more names
p241CID 118987207butazolidincalciumPhenylbutazone caliumButezone calcium NOPhenylbutazone (hemicalcium)
Calcium 4-butyl-1,2-diphenyl-3,5-pyrazolidinedionePHENYLBUTAZONE CALCIUM [WHO-DD]PHENYLBUTAZONE CALCIUM SALT [MI]3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, calcium salt3,5-PYRAZOLIDINEDIONE, 4-BUTYL-1,2-DIPHENYL-, ION(1-), CALCIUMPeralginRefChem:861719274-335-8
Database identifiers
- CAS
36298-23-4、70145-60-7- PubChem CID
- 112362
- DTXSID
DTXSID60957667- UNII
- RD7H6MM2DL
- EC Number
- 274-335-8
Properties
Computed structural properties
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- FDA UNII
- 7 H6MM2DL · RD7H6MM2DL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 997 mg/kg FRPSAX 12,521,57
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 orl-rat: 997 mg/kg FRPSAX 12,521,57
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesAnti-inflammatory, Analgesic
Suppliers41 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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