Basic information
- CAS
37855-81-5- Standard SMILES
Cc1cc2c(O)c3c(=O)ccoc3c(OCC(O)C[NH2+]C(C)C)c2o1.[Cl-]- InChIKey
NNBPVTKXDTWSDW-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO6
- Average molar mass
- 383.8 g/mol
- Monoisotopic mass
- 383.1135651
Names & identifiers
- Preferred name
- 4-Hydroxy-9-(2-hydroxy-3-((propan-2-yl)amino)propoxy)-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)
- IUPAC
- [2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium chloride
Names & synonyms
DTXSID409588994-Hydroxy-9-(2-hydroxy-3-((propan-2-yl)amino)propoxy)-2-methyl-5H-furo(3,2-g)(1)benzopyran-5-one--hydrogen chloride (1/1)RefChem:1070803DTXCID10138679137855-81-5Furo(3,2-g)chromone, 9-(2-hydroxy-3-isopropylaminopropoxy)-4-hydroxy-7-methyl-,hydrochloride5H-Furo(3,2-g)(1)benzopyran-5-one, 9-((2-hydroxy-3-isopropylamino)propoxy)-4-hydroxy-7-methyl-, hydrochlorideNS00121113
Database identifiers
- CAS
37855-81-5- PubChem CID
- 37844
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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