Basic information
- CAS
63956-97-8- Standard SMILES
CC(C)[NH2+]CC(O)COC1=C2OCCC(O)=C2CC2=C1OC(C)C2.[Cl-]- InChIKey
OABHDWXCYXOGSP-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO5
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1656007
Names & identifiers
- Preferred name
- 5H-Furo(3,2-g)(1)benzopyran, 2,3,6,7-tetrahydro-4-hydroxy-9-(3-isopropylamino-2-hydroxypropoxy)-7-methyl-, hydrochloride
- IUPAC
- [2-hydroxy-3-[(5-hydroxy-2-methyl-3,4,6,7-tetrahydro-2H-furo[3,2-g]chromen-9-yl)oxy]propyl]-propan-2-ylazanium chloride
Names & synonyms
63956-97-85H-Furo(3,2-g)(1)benzopyran, 2,3,6,7-tetrahydro-4-hydroxy-9-(3-isopropylamino-2-hydroxypropoxy)-7-methyl-, hydrochlorideRefChem:305643
Database identifiers
- CAS
63956-97-8- PubChem CID
- 45699
Properties
Computed structural properties
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…