基本情報
- CAS
1187-01-5- 標準SMILES
Cl.Cl.O[C@@H]([C@H](O)[C@H](O)CNCCCl)[C@H](O)CNCCCl- InChIKey
GBKLAYXZNQSPBS-XYSQQLOGSA-N- 分子式
- C10H24Cl4N2O4
- 平均分子量
- 378.1 g/mol
- 単同位体質量
- 376.049018
概要
Mannomustine dihydrochloride is an organic molecular entity.
名称と識別子
- 優先名称
- Mannomustine Hydrochloride
- IUPAC
- (2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol;dihydrochloride
名称と別名
DegranolMannomustine dihydrochlorideDegranol chinoinMannomustine hydrochlorideNSC-9698UOZ2JJZ3I5Mannitol, 1,6-bis((2-chloroethyl)amino)-1,6-dideoxy-, dihydrochloride, D-NSC-9698 HYDROCHLORIDERefChem:925287551-74-6D-Mannitol, 1,6-bis((2-chloroethyl)amino)-1,6-dideoxy-, dihydrochlorideDecranol
名称をさらに表示
(2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol;dihydrochlorideUNII-UOZ2JJZ3I5AI3-504541,6-Dideoxy-1,6-di(2-chloroethylamino)-D-mannitol dihydrochloride1,6-Bis(chloroethylamino)-1,6-desoxymannitol dihydrochlorideMANNOMUSTINE [MI]1,6-Bis(beta-chloroethylamino)-1,6-dideoxy-D-mannitol dihydrochlorideMannomustine (dihydrochloride)
データベース識別子
- CAS
1187-01-5、551-74-6- PubChem CID
- 62369
- DTXSID
DTXSID80922756- ChEBI
CHEBI:82481- UNII
- UOZ2JJZ3I5
物性
構造計算による物性
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 6
- 回転可能結合数
- 11
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 183
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Carcinogen Classification
Mannomustine dihydrochloride
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 9: (1975) Some Aziridines, N-, S- and O-Mustards and Selenium
1987
1987
化学と産業
薬理情報
MeSH Pharmacological Classification
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
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