Basic information
- CAS
53076-26-9- Standard SMILES
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1OC- InChIKey
QQGGXAOUSKREAE-UHFFFAOYSA-N- Molecular formula
- C23H32N2O
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.25146365
Overview
structure given in UD 31:185i
Names & identifiers
- Preferred name
- N1-(2,3-Dihydro-1-methoxy-1H-inden-2-yl)-N3,N3-diethyl-N1-phenyl-1,3-propanediamine
- IUPAC
- N,N-diethyl-N'-(1-methoxy-2,3-dihydro-1H-inden-2-yl)-N'-phenylpropane-1,3-diamine
- English name
- moxaprindine
- Molecular formula
- C23H32N2O
- Molecular weight
- 352.51
Names & synonyms
Moxaprindine53076-26-9MoxaprindinaMoxaprindinum5HAF6QO904DTXSID50866299N,N-Diethyl-N'-(1-methoxy-2-indanyl)-N'-phenyl-1,3-propanediamineN1-(2,3-Dihydro-1-methoxy-1H-inden-2-yl)-N3,N3-diethyl-N1-phenyl-1,3-propanediamine1,3-Propanediamine, N-(2,3-dihydro-1-methoxy-1H-inden-2-yl)-N',N'-diethyl-N-phenyl-RefChem:927364DTXCID90814597258-347-0
Show more names
N,N-Diethyl-N'-(1-methoxyindan-2-yl)-N'-phenyl-1,3-propanediamine1,3-Propanediamine, N1-(2,3-dihydro-1-methoxy-1H-inden-2-yl)-N3,N3-diethyl-N1-phenyl-
methoxyaprindine1,3-Propanediamine, N-(2,3-dihydro-1-methoxy-1H-inden-2-yl)-N',N'-diethyl-N-phenyl-Moxaprindine [INN]Moxaprindinum [INN-Latin]Moxaprindina [INN-Spanish]UNII-5HAF6QO904EINECS 258-347-0N,N-diethyl-N'-(1-methoxy-2,3-dihydro-1H-inden-2-yl)-N'-phenylpropane-1,3-diamineorb1980196
Database identifiers
- CAS
53076-26-9
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Boiling point
- 472 · 472.0±45.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.25(Predicted)
- FDA UNII
- 5 HAF6QO904 · 5HAF6QO904
Chemistry & industry
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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