Brn 1550656

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Basic information

CAS: 37082-20-5
Standard SMILES: C#CCN1CCc2cc(OC)c(O)c3c2[C@H]1Cc1ccccc1-3
InChIKey: LNZLRNRNWKEJQC-MRXNPFEDSA-N
Molecular formula: C20H19NO2
Average molar mass: 305.4 g/mol
Monoisotopic mass: 305.14157885

Names & identifiers

Preferred name: Brn 1550656
IUPAC: (6aR)-2-methoxy-6-prop-2-ynyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Names & synonyms

1-Hydroxy-2-methoxy-N-propargylnoraporphineBRN 155065637082-20-5DTXSID80190579(R)-5,6,6a,7-Tetrahydro-2-methoxy-6-(2-propynyl)-4H-dibenzo(de,g)quinolin-1-ol4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2-methoxy-6-(2-propynyl)-, (R)-RefChem:330213DTXCID70113070(6ar)-2-methoxy-6-(prop-2-yn-1-yl)-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-1-olSCHEMBL4153175

Database identifiers

CAS: 37082-20-5
PubChem CID: 216077
DTXSID: DTXSID80190579

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 483

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Compound notes

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