alpha-D-Galamustine hydrochloride
Basic information
- CAS
103626-20-6- Standard SMILES
Cl.O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CN(CCCl)CCCl)[C@@H]1O- InChIKey
YPEQSOJVCFFDKJ-QPQDZHRRSA-N- Molecular formula
- C10H20Cl3NO5
- Average molar mass
- 340.6 g/mol
- Monoisotopic mass
- 339.040706
Names & identifiers
- Preferred name
- alpha-D-Galamustine hydrochloride
- IUPAC
- (2S,3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol;hydrochloride
Names & synonyms
1WO67ZH2CS103626-20-6UNII-1WO67ZH2CSSCHEMBL2114581alpha-D-Galamustine hydrochloride(3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol,hydrochloride;(3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol,hydrochloride.ALPHA.-D-GALAMUSTINE HYDROCHLORIDE.ALPHA.-D-GALACTOPYRANOSE, 6-(BIS(2-CHLOROETHYL)AMINO)-6-DEOXY-, HYDROCHLORIDEalpha-D-Galactopyranose, 6-(bis(2-chloroethyl)amino)-6-deoxy-, hydrochloride
Database identifiers
- CAS
103626-20-6- PubChem CID
- 67281145
- UNII
- 1WO67ZH2CS
Properties
Computed structural properties
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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