Basic information
- CAS
530-10-9- Standard SMILES
Br.CC(C)NC(C)C(=O)c1ccc(O)c(O)c1- InChIKey
NKKZQPAPDMHZSR-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO3
- Average molar mass
- 304.18 g/mol
- Monoisotopic mass
- 303.04701
Names & identifiers
- Preferred name
- Phenisonone hydrobromide
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)propan-1-one;hydrobromide
- English name
- Phenisonone hydrobromide
- Molecular formula
- C12H18BrNO3
- Molecular weight
- 304.18022
Names & synonyms
Phenisonone hydrobromideBronchodilator 1313Dapanone hydrobromide0TN77E4NXWUNII-0TN77E4NXW530-10-91-Propanone, 1-(3,4-dihydroxyphenyl)-2-((1-methylethyl)amino)-, hydrobromide3,4-Dihydroxy-alpha-(isopropylamino)propiophenone hydrobromidePropiophenone, 3',4'-dihydroxy-2-(isopropylamino)-, hydrobromide3,4-DIHYDROXY-.ALPHA.-(ISOPROPYLAMINO)PROPIOPHENONE HYDROBROMIDE1-PROPANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1-METHYLETHYL)AMINO)-, HYDROBROMIDE (1:1)RefChem:172699
Show more names
(+-)-3,4-DIHYDROXY-ALPHA-(ISOPROPYLAMINO)PROPIOPHENONE HYDROBROMIDE(+-)-3,4-DIHYDROXY-.ALPHA.-(ISOPROPYLAMINO)PROPIOPHENONE HYDROBROMIDECHEMBL2104768DTXSID10967473Q27237241(+/-)-3,4-DIHYDROXY-.ALPHA.-(ISOPROPYLAMINO)PROPIOPHENONE HYDROBROMIDE1-(3,4-Dihydroxyphenyl)-2-[(propan-2-yl)amino]propan-1-one--hydrogen bromide (1/1)
Database identifiers
- CAS
530-10-9- PubChem CID
- 216282
- DTXSID
DTXSID10967473- ChEMBL
CHEMBL2104768- UNII
- 0TN77E4NXW
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- FDA UNII
- 0 TN77E4NXW · 0TN77E4NXW
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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