Basic information
- CAS
75464-11-8- Standard SMILES
CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21- InChIKey
AHZXFRRDQXXPJD-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- Butantrone
- IUPAC
- 10-butanoyl-1,8-dihydroxy-10H-anthracen-9-one
- English name
- Butantrone
- Molecular formula
- C18H16O4
- Molecular weight
- 0
Names & synonyms
Butantrone75464-11-8Butantrona10-Butyryl dithranolButantronum9P148IBA8MDTXSID10226395RefChem:122126DTXCID1014888610-Butyryl-1,8-dihydroxy-10H-anthracen-9-one (Butantrone)Butantrone [INN]10-butanoyl-1,8-dihydroxy-10H-anthracen-9-one
Show more names
Butantorone1,8-Dihydroxy-10-(1-oxobutyl)anthracen-9(10H)-one1,8-dihydroxy-10-(1'-oxobutyl)-9(10H)-anthracenone
10-Butyryl-1,8-dihydroxyanthroneCHEMBL130968Butantronum [Latin]Butantrona [Spanish]Dithranol, 10-butyryl-CCRIS 2041BRN 4197920UNII-9P148IBA8M
Database identifiers
- CAS
75464-11-8- PubChem CID
- 53271
- DTXSID
DTXSID10226395- ChEMBL
CHEMBL130968- UNII
- 9P148IBA8M
- Nikkaji
- J32.483C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- FDA UNII
- 9 P148IBA8M · 9P148IBA8M
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
1 records
Compound notes
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