4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, compd. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)
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Basic information
- CAS
34317-37-8- Standard SMILES
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cc1ncc(COP(=O)(O)O)c(C=O)c1O- InChIKey
VTJFMXLVZKZSGE-UHFFFAOYSA-N- Molecular formula
- C28H31N2O10P
- Average molar mass
- 586.5 g/mol
- Monoisotopic mass
- 586.17163219
Names & identifiers
- Preferred name
- 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, compd. with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate
- English name
- 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridine-4-carbaldehyde, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)
- Molecular formula
- C20H21NO4.C8H10NO6P
- Molecular weight
- 586.531
Names & synonyms
Papaverine codecarboxylate34317-37-83RX65N0VN756896-69-6RefChem:169919251-934-2Albatran3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)pyridine-4-carbaldehyde, compound with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline (1:1)3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridine-4-carbaldehyde, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)UNII-3RX65N0VN7EINECS 251-934-2SCHEMBL29355250
Show more names
DTXSID40955868EBC-80273PAPAVERINE CODECARBOXYLATE [WHO-DD]NS00089662Q27257952(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate--1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1/1)
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- FDA UNII
- 3 RX65N0VN7 · 3RX65N0VN7
Related reactions
0 records
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Compound notes
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