Pholcolix
Basic information
- CAS
90326-84-4- Standard SMILES
CC(=O)Nc1ccc(O)cc1.CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.C[C@@H](N)[C@@H](O)c1ccccc1- InChIKey
IXAQYJGUAHBCDT-ZYMSHKBDSA-N- Molecular formula
- C40H52N4O7
- Average molar mass
- 700.9 g/mol
- Monoisotopic mass
- 700.38360001
Names & identifiers
- Preferred name
- Pholcolix
- IUPAC
- (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(1S,2R)-2-amino-1-phenylpropan-1-ol;N-(4-hydroxyphenyl)acetamide
- English name
- pholcolix
- Molecular formula
- C40H52N4O7
- Molecular weight
- 700.86348
Names & synonyms
Pholcolix90326-84-4Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(2-(4-morpholinyl)ethoxy)-, (5alpha,6alpha)-, mixt. with (R*,S*)-(+-)-alpha-(1-aminoethyl)benzenemethanol and N-(4-hydroxyphenyl)acetamideDTXSID90238092(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(1S,2R)-2-amino-1-phenylpropan-1-ol;N-(4-hydroxyphenyl)acetamide
Database identifiers
- CAS
90326-84-4- PubChem CID
- 5491012
- DTXSID
DTXSID90238092
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 902
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Related reactions
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Compound notes
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