Basic information
- CAS
70833-07-7- Standard SMILES
CN(C)C1=NCC(c2cc3ccccc3o2)C1- InChIKey
IYMLHOSZPZHXCR-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Overview
structure
Names & identifiers
- Preferred name
- Prifuroline
- IUPAC
- 3-(1-benzofuran-2-yl)-N,N-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
- English name
- prifuroline
- Molecular formula
- C14H16N2O
- Molecular weight
- 228.29
Names & synonyms
Prifuroline70833-07-7PrifurolinaPrifurolinumOP2V3XRV2Y4-(2-Benzofuranyl)-2-(dimethylamino)-1-pyrrolineDTXSID20867950RefChem:176007DTXCID10816098Prifuroline [INN]3-(1-benzofuran-2-yl)-N,N-dimethyl-3,4-dihydro-2H-pyrrol-5-amine3-(BENZOFURAN-2-YL)-N,N-DIMETHYL-3,4-DIHYDRO-2H-PYRROL-5-AMINE
Show more names
3-(Benzofuran-2-yl)-3,4-dihydro-N,N-dimethyl-2H-pyrrol-5-amine2H-Pyrrol-5-amine, 3-(2-benzofuranyl)-3,4-dihydro-N,N-dimethyl-3-(benzofuran-2-yl)-N,N-dimethyl-3,4-dihydro-2H-pyrrol-5-amine(WXC06062)
UNII-OP2V3XRV2YPrifurolinum [INN-Latin]Prifurolina [INN-Spanish]orb1708813SCHEMBL1815112CHEMBL2106971VCA83307AKOS040735372
Database identifiers
- CAS
70833-07-7- PubChem CID
- 68899
- DTXSID
DTXSID20867950- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 383.8 · 383.8±31.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 8.55 · 8.55±0.40(Predicted)
- FDA UNII
- 2 V3XRV2Y · OP2V3XRV2Y
Chemistry & industry
Applications
UsesPrifuroline is an antiarrhythmic agent.
Suppliers7 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [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]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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