Basic information
- CAS
58805-38-2- Standard SMILES
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)oc12- InChIKey
WEQNUNAIQXHGHB-UHFFFAOYSA-N- Molecular formula
- C17H12O8
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.05321734
Overview
Probicromil is a small molecule drug. Probicromil has a monoisotopic molecular weight of 344.05 Da.
Names & identifiers
- Preferred name
- Probicromil
- IUPAC
- 4,6-dioxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylic acid
- English name
- Ambicromil
- Molecular formula
- C17H12O8
- Molecular weight
- 344.274
Names & synonyms
Ambicromil58805-38-2ProbicromilAmbicromilumambicromilo49BO3YUP404H,6H-Benzo(1,2-b:5,4-b')dipyran-2,8-dicarboxylic acid, 4,6-dioxo-10-propyl-4,6-DIOXO-10-PROPYL-4H,6H-BENZO(1,2-B:5,4-B')DIPYRAN-2,8-DICARBOXYLATEFPL-58668RefChem:176103FPL 586684,6-dioxo-10-propylpyrano[3,2-g]chromene-2,8-dicarboxylic acid
Show more names
ProbicromilCalcium4H,6H-Benzo[1,2-b:5,4-b']dipyran-2,8-dicarboxylic acid, 4,6-dioxo-10-propyl- (9CI)
4,6-Dioxo-10-propyl-4H,6H-benzo[1,2-b:5,4-b']dipyran-2,8-dicarboxylic acidAmbicromil [INN:BAN]Ambicromilum [INN-Latin]UNII-49BO3YUP404,6-Dioxo-10-propyl-4H,6H-benzo(1,2-b:5,4-b')dipyran-2,8-dicarboxylic acidAMBICROMIL [INN]AMBICROMIL [MART.]SCHEMBL371493
Database identifiers
- CAS
58805-38-2- PubChem CID
- 71950
- DTXSID
DTXSID10866710- ChEMBL
CHEMBL2110970
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Melting point
- 310 · 310-311 °C
- Boiling point
- 624.1 · 624.1±55.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- pka
- 1.78 · 1.78±0.40(Predicted)
- FDA UNII
- 49 BO3YUP40 · 49BO3YUP40
Chemistry & industry
Applications
UsesAnti-allergic (prophylactic).
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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