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Basic information
- CAS
113658-85-8- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)C1C- InChIKey
MCNAAGLIGWJLQX-UHFFFAOYSA-N- Molecular formula
- C21H24N2O7S
- Average molar mass
- 448.497 g/mol
- Monoisotopic mass
- 448.13042211
Names & identifiers
- Preferred name
- Ethyl 2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)ethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- Ethyl 2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)ethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- PCA 4230
- Molecular formula
- C21H24N2O7S
- Molecular weight
- 448.48946
Names & synonyms
PCA 4230Trombodipine3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, 3-[2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl] 5-ethyl ester
Database identifiers
- CAS
113658-85-8- PubChem CID
- 124236
- DTXSID
DTXSID40921144- ChEMBL
CHEMBL57193
Properties
Physicochemical properties
- Melting point
- 144 · 144-146 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 623.2 · 623.2±65.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 3.4 · 3.40±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesTrombodipine is an antithrombotic agent, inhibiting platelet aggregation[1].
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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