Basic information
- CAS
38953-18-3- Standard SMILES
Cl.Cn1c(=O)c2c(ncn2CC(=O)OCc2cccnc2)n(C)c1=O- InChIKey
TWLYHAYCGQAQJW-UHFFFAOYSA-N- Molecular formula
- C15H16ClN5O4
- Average molar mass
- 365.77 g/mol
- Monoisotopic mass
- 365.0890817
Names & identifiers
- Preferred name
- (Pyridin-3-yl)methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate--hydrogen chloride (1/1)
- IUPAC
- pyridin-3-ylmethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate;hydrochloride
- English name
- pyridin-3-ylmethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate hydroc hloride
- Molecular formula
- C15H16ClN5O4
- Molecular weight
- 0
Names & synonyms
38953-18-3DTXSID40959801(Pyridin-3-yl)methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate--hydrogen chloride (1/1)RefChem:1051041DTXCID901387674Theophylline 7 acetate de nicotinol HCl [French]MP 6Theophylline 7 acetate de nicotinol HClTheophyllinyl-7 ethanoate de pyridine-3 methanol chlorhydrate [French]7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 3-pyridinylmethyl ester,monohydrochlorideTheophyllinyl-7 ethanoate de pyridine-3 methanol chlorhydratepyridin-3-ylmethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate hydrochloride
Show more names
pyridin-3-ylmethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate hydroc hloride
DB-244777
Properties
Computed structural properties
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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