基本情報
- CAS
132937-89-4- 標準SMILES
Cl.Cl.Cl.Cl.O.O=C1c2c(O)cccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23.O=C1c2c(O)cccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23- InChIKey
CNQCTSLNJJVSAU-UHFFFAOYSA-N- 分子式
- C44H60Cl4N10O9
- 平均分子量
- 1,014.8 g/mol
- 単同位体質量
- 1,012.329884
概要
Losoxantrone Hydrochloride is the hydrochloride salt form of losoxantrone, an anthrapyrazole-based antineoplastic antibiotic. Losoxantrone intercalates into DNA, induces single- and double-stranded DNA breaks and inhibits topoisomerase II, thereby inhibiting DNA replication and repair as well as RNA and protein synthesis. Losoxantrone is less cardiotoxic than doxorubicin.
名称と識別子
- 優先名称
- Losoxantrone hydrochloride
- IUPAC
- bis(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);hydrate;tetrahydrochloride
名称と別名
Losoxantrone hydrochlorideLosoxantrone hydrochloride [USAN]132937-89-4W6E275IURXlosoxantrone hydrochloride hydrateDUP 941UNII-W6E275IURXLosoxantrone hydrochloride (USAN)DuP-941Anthra(1,9-cd)pyrazol-6(2H)-one, 7-hydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-((2-hydroxyethyl)amino)ethyl)amino)-, dihydrochloride, hydrate (2:1)CI-941NSC 357885
名称をさらに表示
NSC-357885PD-1137857-Hydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-((2-hydroxyethyl)amino)ethyl)amino)anthra(1,9-cd)pyrazol-6(2H)-one, dihydrochloride, hemihydrate7-Hydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthra[1,9-cd]pyrazol-6(2H)-one, dihydrochloride, hemihydrateDTXSID70157873LOSOXANTRONE DIHYDROCHLORIDE HEMIHYDRATED04783LOSOXANTRONE HYDROCHLORIDE HYDRATE [WHO-DD]
データベース識別子
- CAS
132937-89-4- PubChem CID
- 166541
- DTXSID
DTXSID70157873- ChEMBL
CHEMBL1996953- UNII
- W6E275IURX
物性
構造計算による物性
- 極性表面積
- 264 Ų
- 水素結合供与体数
- 17
- 水素結合受容体数
- 17
- 回転可能結合数
- 22
- 重原子数
- 67
- 形式電荷
- 0
- 複雑度
- 596
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