Basic information
- CAS
21661-62-1- Standard SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O- InChIKey
ZAYCRPQFDFUAHF-UHFFFAOYSA-N- Molecular formula
- C25H30ClN5O3
- Average molar mass
- 484 g/mol
- Monoisotopic mass
- 483.2037175
Overview
structure
Names & identifiers
- Preferred name
- Moxastine theoclate
- IUPAC
- 8-chloro-1,3-dimethyl-7H-purine-2,6-dione;2-(1,1-diphenylethoxy)-N,N-dimethylethanamine
- English name
- Theophylline, 8-chloro-, compd. with 2-(1,1-diphenylethoxy)-N,N-dimeth ylethylamine (1:1)
- Molecular formula
- C25H30ClN5O3
- Molecular weight
- 483.9904
Names & synonyms
Moxastine theoclate21661-62-1moxastine teoclateJ566J1RZ9JMEPHENHYDRAMINE TEOCLATEDTXSID30176045MOXASTINE THEOPHYLLINE, 8-CHLOROMEPHENHYDRAMINE THEOPHYLLINE, 8-CHLORORefChem:926161DTXCID2098536N,N-dimethyl-2-(1,1-diphenylethoxy)ethylamine.8-chlorotheophyllinateMephenhydrinate
Show more names
Theophylline, 8-chloro-, compd. with 2-(1,1-diphenylethoxy)-N,N-dimeth ylethylamine (1:1)
Theadryl8-Chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione compound with 2-(1,1-diphenylethoxy)-N,N-dimethylethanamine (1:1)Doxofylline MoxastineUNII-J566J1RZ9JMOXASTINE TEOCLATE [MART.]MOXASTINE TEOCLATE [WHO-DD]N,N-Dimethyl-2-(1,1-diphenylethoxy)ethylamine 8-chlorotheophyllinateAKOS005065493
Database identifiers
- CAS
21661-62-1- PubChem CID
- 88998
- DTXSID
DTXSID30176045- UNII
- J566J1RZ9J
Properties
Computed structural properties
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- FDA UNII
- 566 J1RZ9J · J566J1RZ9J
Chemistry & industry
Suppliers1 total
安泰精细化工技术有限公司18503026267 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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