Basic information
- CAS
17140-68-0- Standard SMILES
CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C.Cl- InChIKey
WZNIVRAEOQQUIB-UHFFFAOYSA-N- Molecular formula
- C13H22ClN5O2
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1462027
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 7-(2-(diethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)
- IUPAC
- 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
- English name
- etamiphyllin hydrochloride
- Molecular formula
- C13H21N5O2.ClH
- Molecular weight
- 315.803
Names & synonyms
Etamiphyllin hydrochloride17140-68-0Etamiphyllin HCl66ZCZ8Z4HE1H-Purine-2,6-dione, 7-(2-(diethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-, hydrochlorideDTXSID40169089RefChem:1058452DTXCID80915801H-Purine-2,6-dione, 7-(2-(diethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)241-204-1Etamiphylline hydrochloride7-(2-(DIETHYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE
Show more names
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,hydrochloride
7-[2-(diethylamino)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride7-(2-(Diethylamino)ethyl)theophylline HCl7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride7-(2-(Diethylamino)ethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione hydrochlorideEINECS 241-204-1UNII-66ZCZ8Z4HESolufilina (TN)Chlorhydrate de diethylaminoethyltheophylline [French]
Database identifiers
- CAS
17140-68-0- PubChem CID
- 28328
- DTXSID
DTXSID40169089- UNII
- 66ZCZ8Z4HE
- EC Number
- 241-204-1
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 239 · 239-241°
- FDA UNII
- 66 ZCZ8Z4HE · 66ZCZ8Z4HE
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
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Compound notes
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