Basic information
- CAS
586391-22-2- Standard SMILES
CCCN1CCc2cc(O)cc3c2C1Cc1ccc(O)c(O)c1-3- InChIKey
HLRBSTGXOFUEHW-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- 2,10,11-Trihydroxy-N-propylnoraporphine
- IUPAC
- 6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
Names & synonyms
HUA9N4Y9JB2,10,11-trihydroxy-n-propylnoraporphine586391-22-2RefChem:10588002-OH-NPA, (A+-)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol2-OH-Npa, (+/-)-UNII-HUA9N4Y9JB2,10,11-Trihydroxy-n-propylnoraporphine, (+/-)-5,6,6a,7-Tetrahydro-6-propyl-4H-dibenzo(de,g)quinoline-2,10,11-triol4H-Dibenzo(de,g)quinoline-2,10,11-triol, 5,6,6a,7-tetrahydro-6-propyl-SCHEMBL1325958
Show more names
SCHEMBL29380552NCGC00162160-01NCGC00162160-02PD092282(-)2,10,11-trihydroxy-N-n-propylnoraporphine
Database identifiers
- CAS
586391-22-2- PubChem CID
- 5019
- UNII
- HUA9N4Y9JB
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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