Basic information
- CAS
88303-60-0- Standard SMILES
O=C1c2c(O)cccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23- InChIKey
YROQEQPFUCPDCP-UHFFFAOYSA-N- Molecular formula
- C22H27N5O4
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.20630436
Overview
Losoxantrone is a small molecule drug. Losoxantrone has a monoisotopic molecular weight of 425.21 Da.
Names & identifiers
- Preferred name
- Losoxantrone
- IUPAC
- 6-hydroxy-14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
- English name
- Losoxantrone
- Molecular formula
- C22H27N5O4
- Molecular weight
- 425.48
Names & synonyms
Losoxantrone88303-60-0Anthrapyrazolonebianthrazolelosoxantrona47KPH00809DTXSID60236949C-19417-hydroxy-2(2-((2-hydroxyethyl) amino) ethyl)5-(2-((2-hydroxyethyl)amino)ethyl)amino anthra(1,9-cd)pyrazole-6(2H)-onelosoxantronum7-Hydroxy-2-(2-(2-hydroxy-ethylamino)-ethyl)-5-(2-(2-hydroxy-ethylamino)-ethylamino)-2H-dibenzo(cd,g)indazol-6-one7-Hydroxy-2-[2-(2-hydroxy-ethylamino)-ethyl]-5-[2-(2-hydroxy-ethylamino)-ethylamino]-2H-dibenzo[cd,g]indazol-6-one
Show more names
Losoxanthrone7-Hydroxy-2-[2-(2-hydroxyethylamino)ethyl]-5-[2-(2-hydroxyethylamino)ethylamino]anthra[1,9-cd]pyrazol-6(2H)-oneDibenz[cd,g]indazol-6(2H)-one, 7-hydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-
RefChem:154118DTXCID40159440BiantrazoleCI-941CHEMBL835206-hydroxy-14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-oneAnthra-941Bianthrazole; Biantrazole; C 1941; Losoxantrone
Database identifiers
- CAS
88303-60-0- PubChem CID
- 72116
- DTXSID
DTXSID60236949- ChEMBL
CHEMBL83520- UNII
- 47KPH00809
- Nikkaji
- J265.016I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 596
Physicochemical properties
- Boiling point
- 765.2 · 765.2±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 6.72 · 6.72±0.20(Predicted)
- NCI Dictionary of Cancer Terms
- losoxantrone
- FDA UNII
- 47 KPH00809 · 47KPH00809
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
LGM Pharma1-(800)-881-8210 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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