Completing data — refresh the page later to see the latest
Basic information
- CAS
137214-72-3- Standard SMILES
CCc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12- InChIKey
AJPYMAXBUCUFLQ-MSQAHXEGSA-N- Molecular formula
- C16H18O6S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.08240946
Names & identifiers
- Preferred name
- Iliparcil
- IUPAC
- 4-ethyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
- English name
- Iliparcil
- Molecular formula
- C16H18O6S
- Molecular weight
- 338.378
Names & synonyms
Iliparcil137214-72-3iliparcilo753UJ7AGLADTXSID20160110iliparcilumRefChem:147866DTXCID5082601Iliparcil [INN]4-ethyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-oneUNII-753UJ7AGLA4-Ethyl-7-((5-thio-beta-D-xylopyranosyl)oxy)coumarin
Show more names
2H-1-Benzopyran-2-one, 4-ethyl-7-[(5-thio-β-D-xylopyranosyl)oxy]-
orb1819199SCHEMBL1230480CHEMBL2106368EX-A15607TS-09488HY-105495CS-0026142NS00120107
Database identifiers
- CAS
137214-72-3- PubChem CID
- 196889
- DTXSID
DTXSID20160110- ChEMBL
CHEMBL2106368- UNII
- 753UJ7AGLA
- Nikkaji
- J550.683B
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 571.9 · 571.9±50.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- 12.78 · 12.78±0.70(Predicted)
- FDA UNII
- 753 UJ7AGLA · 753UJ7AGLA
Chemistry & industry
Applications
UsesIliparcil has a potent antithrombotic activity in the Wessler model in rats. Iliparcil has oral activity[1].
Upstream & downstream products
Upstream raw materials
Suppliers6 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [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
Loading…