Pyridofylline
Basic information
- CAS
53403-97-7- Standard SMILES
Cc1ncc(CO)c(CO)c1O.Cn1c(=O)c2c(ncn2CCOS(=O)(=O)O)n(C)c1=O- InChIKey
WXFJHNDXYIDTAF-UHFFFAOYSA-N- Molecular formula
- C17H23N5O9S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.1216485
Names & identifiers
- Preferred name
- Pyridofylline
- IUPAC
- 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl hydrogen sulfate
- English name
- pyridofylline
- Molecular formula
- C9H12N4O6S.C8H11NO3
- Molecular weight
- 473.461
Names & synonyms
PyridofyllinePiridofilinaPyridofylline [INN:DCF]PyridofyllinumPiridofilina [INN-Spanish]Pyridofyllinum [INN-Latin]53403-97-7UNII-W9CI6CR77MEINECS 258-521-6Theophyllineethylsulfate of pyridoxineW9CI6CR77MPYRIDOFYLLINE [MI]
Show more names
PYRIDOFYLLINE [INN]PYRIDOFYLLINE [MART.]PYRIDOFYLLINE [WHO-DD]DTXSID90201569Piridofilina (INN-Spanish)Pyridofyllinum (INN-Latin)PYRIDOFYLLINE (MART.)RefChem:177700
Database identifiers
- CAS
53403-97-7- PubChem CID
- 71729
- DTXSID
DTXSID90201569- UNII
- W9CI6CR77M
- EC Number
- 258-521-6
Properties
Computed structural properties
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Melting point
- 144 · 144-146°
- FDA UNII
- 9 CI6CR77M · W9CI6CR77M
- Toxicity
- 50 in · LD50 in mice (g/kg): 1 i.v.; 1.6 orally (Debarge)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (g/kg): 1 i.v.; 1.6 orally (Debarge)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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