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Basic information
- CAS
61503-74-0- Standard SMILES
CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3- InChIKey
VMWNQDUVQKEIOC-UHFFFAOYSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592878
Overview
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol is an aporphine alkaloid.
Names & identifiers
- Preferred name
- (+-)-Apomorphine
- IUPAC
- 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Names & synonyms
61503-74-0DTXSID70859022(+-)-ApomorphineRefChem:1049025DTXCID20196878(+/-)-Apomorphine6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol6a-.beta.-Aporphine-10,11-diol6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol hydrochlorideApormorphine10-METHYL-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(17),2(7),3,5,13,15-HEXAENE-3,4-DIOLSpectrum_000060
Show more names
Spectrum2_000142Spectrum3_000306Spectrum4_000241Spectrum5_00084410,11-dihydroxyaporphineLopac0_000076BSPBio_001872KBioGR_000642
Database identifiers
- CAS
61503-74-0- PubChem CID
- 2215
- DTXSID
DTXSID70859022- ChEMBL
CHEMBL70099- ChEBI
CHEBI:93852
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
1 records
Compound notes
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