L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(phenylmethyl)amino)-, 5-nitrate, monohydrochloride
Basic information
- CAS
81786-37-0- Standard SMILES
CN(Cc1ccccc1)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-].Cl- InChIKey
AJLOGBFMAZZDAG-VMMWHKSHSA-N- Molecular formula
- C14H19ClN2O5
- Average molar mass
- 330.76 g/mol
- Monoisotopic mass
- 330.0982494
Names & identifiers
- Preferred name
- L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(phenylmethyl)amino)-, 5-nitrate, monohydrochloride
- IUPAC
- [(3S,3aR,6S,6aS)-3-[benzyl(methyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Names & synonyms
5-(N-Benzyl-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German]81786-37-0L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(methyl(phenylmethyl)amino)-, 5-nitrate, monohydrochloride5-(N-Benzyl-N-methylamino)-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochloridRefChem:350750DTXSID6010022131,4:3,6-Dianhydro-2-[benzyl(methyl)amino]-2-deoxy-5-O-nitro-L-iditol--hydrogen chloride (1/1)1,4:3,6-Dianhydro-2-[benzyl(methyl)amino]-2-deoxy-5-O-nitrohexitol--hydrogen chloride (1/1)
Database identifiers
- CAS
81786-37-0- PubChem CID
- 3067641
- DTXSID
DTXSID601002213
Properties
Computed structural properties
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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