Basic information
- CAS
61389-43-3- Standard SMILES
CCC[N+]1(C)CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3.[I-]- InChIKey
VIDGDPMBKKWYBE-OOJQBDKLSA-N- Molecular formula
- C20H24INO2
- Average molar mass
- 437.3 g/mol
- Monoisotopic mass
- 437.08518
Names & identifiers
- Preferred name
- Aporphinium, 10,11-dihydroxy-6-propyl-, iodide
- IUPAC
- (6aS)-6-methyl-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-10,11-diol iodide
Names & synonyms
10,11-Dihydroxy-6-propylaporphinium iodideAPORPHINIUM, 10,11-DIHYDROXY-6-PROPYL-, IODIDE4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-6-methyl-6-propyl-, iodide, (R)-61389-43-3RefChem:319939
Database identifiers
- CAS
61389-43-3- PubChem CID
- 43634
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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