Deglucopterocereine
Basic information
- CAS
70475-63-7- Standard SMILES
COc1cc2c(c(O)c1OC)CCN(C)C2CO- InChIKey
CGNTUKTXUKHAEG-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Overview
structure given in first source
Names & identifiers
- Preferred name
- Deglucopterocereine
- IUPAC
- 1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
- English name
- deglucopterocereine
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29426
Names & synonyms
Deglucopterocereine70475-63-7RefChem:131433CHEMBL463303DTXSID909906831-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol1-Isoquinolinemethanol, 1,2,3,4-tetrahydro-5-hydroxy-6,7-dimethoxy-2-methyl-, (-)-1-(Hydroxymethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
Database identifiers
- CAS
70475-63-7- PubChem CID
- 155378
- DTXSID
DTXSID90990683- ChEMBL
CHEMBL463303
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
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Related reactions
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Compound notes
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