Basic information
- CAS
30924-31-3- Standard SMILES
CN(CCO)c1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
ZGNRRVAPHPANFI-UHFFFAOYSA-N- Molecular formula
- C11H17N5O3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.13313942
Overview
Cafaminol is an oxopurine.
Names & identifiers
- Preferred name
- Cafaminol
- IUPAC
- 8-[2-hydroxyethyl(methyl)amino]-1,3,7-trimethylpurine-2,6-dione
- English name
- cafaminol
- Molecular formula
- C11H17N5O3
- Molecular weight
- 267.28
Names & synonyms
Cafaminol30924-31-3Cafaminolum8-((2-Hydroxyethyl)methylamino)caffeine0L1S25NC1LDTXSID60184916RefChem:122653DTXCID00107407250-390-3Cafaminol [INN]MethylcoffanolamineRhinoptil
Show more names
MecoffaminumMethylcoffanolamin3,7-Dihydro-8-[(2-hydroxyethyl)methylamino]-1,3,7-trimethyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-8-[(2-hydroxyethyl)methylamino]-1,3,7-trimethyl-
8-[2-hydroxyethyl(methyl)amino]-1,3,7-trimethylpurine-2,6-dioneRhinettenCafaminolum [INN-Latin]8-((2-hydroxyethyl)(methyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione8-(beta-Oxyethyl)methylaminocaffeineEINECS 250-390-3BRN 0294509UNII-0L1S25NC1L
Database identifiers
- CAS
30924-31-3- PubChem CID
- 35685
- DTXSID
DTXSID60184916- ChEMBL
CHEMBL2104570- ChEBI
CHEBI:135099- UNII
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Melting point
- 162 · 162-164°
- FDA UNII
- 0 L1S25NC1L · 0L1S25NC1L
- Toxicity
- 50 s.c · LD50 s.c. in male mice: 700 mg/kg (Klosa)
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 s.c. in male mice: 700 mg/kg (Klosa)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Cafaminol is an oxopurine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…