5H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, citrate
Basic information
- CAS
63956-98-9- Standard SMILES
COc1c2occc(OCC(O)C[NH+](Cc3ccccc3)C(C)C)c-2c(=O)c2cc(C)oc12.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]- InChIKey
DYJUIQICMYDPOM-UHFFFAOYSA-N- Molecular formula
- C32H37NO13
- Average molar mass
- 643.6 g/mol
- Monoisotopic mass
- 643.22649023
Names & identifiers
- Preferred name
- 5H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, citrate
- IUPAC
- benzyl-[2-hydroxy-3-(9-methoxy-2-methyl-4-oxofuro[3,2-g]chromen-5-yl)oxypropyl]-propan-2-ylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Names & synonyms
63956-98-94-(3-(Benzylisopyropylamino)-2-hydroxypropoxy)-9-methoxy-7-methylfuro(3,2-g)chromone citrate5H-Furo(3,2-g)(1)benzopyran-5-one, 4-(3-(benzylisopropylamino)-2-hydroxypropoxy)-9-methoxy-7-methyl-, citrateFuro(3,2-g)chromone,4-(3-benzylisopropylamino-2-hydroxypropoxy)-9-methoxy-7-methyl-, citrateRefChem:305646
Database identifiers
- CAS
63956-98-9- PubChem CID
- 45701
Properties
Computed structural properties
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,030
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Compound notes
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