基本情報
- CAS
67324-99-6- 標準SMILES
COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl- InChIKey
KVTVLWOKIDKIQL-KOFUDPRISA-N- 分子式
- C27H31ClN2O9
- 平均分子量
- 563 g/mol
- 単同位体質量
- 562.1718083
名称と識別子
- 優先名称
- 5(8H)-Naphthacenone, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-
- IUPAC
- (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride
- 英語名
- 5-Iminodaunorubicin
- 分子式
- C27H31ClN2O9
- 分子量
- 563
名称と別名
67324-99-65-iminodaunorubicin hydrochloride5(8H)-Naphthacenone, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-RefChem:9128895-Iminodaunorubicin (hydrochloride)(8S,10S)-8-Acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochlorideNSC 2546815-Iminodaunorubicin HClC27H31ClN2O9orb1745118CHEMBL3230539HY-138645A
名称をさらに表示
8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-5(8H)-naphthacenoneMS-30216PD157781CS-0159988G17808(8S,10S)-8-Acetyl-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-12-imino-1-methoxy-7,9,10,12-tetrahydrotetracen-5(8H)-one hydrochloride(8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride5(8H)-Naphthacenone, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-|A-L-lyxo-hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-, monohydrochloride, (8S-cis)-
物性
構造計算による物性
- 極性表面積
- 193 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 11
- 回転可能結合数
- 4
- 重原子数
- 39
- 形式電荷
- 0
- 複雑度
- 963
物理化学的性質
- 外見
- Solid
- 色
- Purple to black
化学と産業
薬理情報
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
サプライヤー2 社
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…