基本情報
- CAS
88303-61-1- 標準SMILES
Cl.Cl.O=C1c2c(O)cccc2-c2nn(CCNCCO)c3ccc(NCCNCCO)c1c23- InChIKey
XDMHALQMTPSGEA-UHFFFAOYSA-N- 分子式
- C22H29Cl2N5O4
- 平均分子量
- 498.4 g/mol
- 単同位体質量
- 497.1596598
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 (1:2)
- 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;dihydrochloride
名称と別名
DTXSID70236950Losoxantrone hydrochloride (1:2)RefChem:351410DTXCID00159441Losoxantrone hydrochloride88303-61-1Losoxantrone HClJWB98HG9FSNSC-357885DUP 941NSC 357885Losoxantrone hydrochloride anhydrous
名称をさらに表示
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;dihydrochloride7-Hydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-((2-hydroxyethyl)amino)ethyl)amino)anthra(1,9-cd)pyrazol-6(2H)-one dihydrochlorideDibenz[cd,g]indazol-6(2H)-one,7-hydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-,hydrochloride (1:2)Biantrazole dihydrochlorideDuP-941Bianthrazole dihydrochlorideCI-941UNII-JWB98HG9FS
データベース識別子
- CAS
88303-61-1- PubChem CID
- 73349
- DTXSID
DTXSID70236950- ChEMBL
CHEMBL1996953、CHEMBL553128- UNII
- JWB98HG9FS
物性
構造計算による物性
- 極性表面積
- 132 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 8
- 回転可能結合数
- 11
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 596
関連反応
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