Aminophylline Dihydrate
Basic information
- CAS
5897-66-5- Standard SMILES
Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN.O.O- InChIKey
FXNJPZOEDHBGEY-UHFFFAOYSA-N- Molecular formula
- C16H28N10O6
- Average molar mass
- 456.46 g/mol
- Monoisotopic mass
- 456.21932865
Names & identifiers
- Preferred name
- Aminophylline Dihydrate
- IUPAC
- bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine;dihydrate
Names & synonyms
Aminophylline dihydrateUNII-C229N9DX94C229N9DX94DTXSID50207709THEOPHYLLINE AND ETHYLENEDIAMINE HYDRATEAMINOPHYLLINE DIHYDRATE (USP MONOGRAPH)AMINOPHYLLINE DIHYDRATE [USP MONOGRAPH]THEOPHYLLINE-ETHYLENEDIAMINE DIHYDRATE (EP MONOGRAPH)THEOPHYLLINE-ETHYLENEDIAMINE DIHYDRATE [EP MONOGRAPH]RefChem:54161DTXCID501302001,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine;dihydrate
Show more names
1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hemiethane-1,2-diamine salt dihydrateorb320944NIOSH/XH5602000SCHEMBL19987964Theophylline-ethylenediamine hydrateAMINOPHYLLINE DIHYDRATE [VANDF]AMINOPHYLLINE DIHYDRATE [WHO-DD]XH56020000
Database identifiers
- CAS
5897-66-5- PubChem CID
- 20848874
- DTXSID
DTXSID50207709- UNII
- C229N9DX94
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…