Basic information
- CAS
1187-01-5- Standard SMILES
Cl.Cl.O[C@@H]([C@H](O)[C@H](O)CNCCCl)[C@H](O)CNCCCl- InChIKey
GBKLAYXZNQSPBS-XYSQQLOGSA-N- Molecular formula
- C10H24Cl4N2O4
- Average molar mass
- 378.1 g/mol
- Monoisotopic mass
- 376.049018
Overview
Mannomustine dihydrochloride is an organic molecular entity.
Names & identifiers
- Preferred name
- Mannomustine Hydrochloride
- IUPAC
- (2R,3R,4R,5R)-1,6-bis(2-chloroethylamino)hexane-2,3,4,5-tetrol;dihydrochloride
Names & synonyms
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
Show more names
(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)
Database identifiers
- CAS
1187-01-5、551-74-6- PubChem CID
- 62369
- DTXSID
DTXSID80922756- ChEBI
CHEBI:82481- UNII
- UOZ2JJZ3I5
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 183
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
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
Chemistry & industry
Pharmacology
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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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