2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride
Basic information
- CAS
96567-85-0- Standard SMILES
C=CCc1c(O)c(CN2CCN(CCO)CC2)cc2c(C)cc(=O)oc12.Cl.Cl- InChIKey
NKQHYTXGUOEKKY-UHFFFAOYSA-N- Molecular formula
- C20H28Cl2N2O4
- Average molar mass
- 431.3 g/mol
- Monoisotopic mass
- 430.1426128
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride
- IUPAC
- 7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-8-prop-2-enylchromen-2-one;dihydrochloride
Names & synonyms
2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride96567-85-04-Methyl-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-7-hydroxy-8-allylcoumarin 2HClDTXSID30242330RefChem:268244DTXCID30164821SCHEMBL106312427-Hydroxy-6-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-methyl-8-(prop-2-en-1-yl)-2H-1-benzopyran-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
96567-85-0- PubChem CID
- 20144533
- DTXSID
DTXSID30242330
Properties
Computed structural properties
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 542
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Compound notes
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