Basic information
- CAS
31749-12-9- Standard SMILES
Br.O=C(c1ccc(O)c(O)c1)c1ccccn1- InChIKey
KTDLKYUKPICNPE-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO3
- Average molar mass
- 296.12 g/mol
Names & identifiers
- Preferred name
- (3,4-Dihydroxyphenyl) 2-pyridyl ketone hydrobromide
- IUPAC
- (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
- English name
- (3,4-dihydroxyphenyl) 2-pyridyl ketone hydrobromide
- Molecular formula
- C12H10BrNO3
- Molecular weight
- 296.1167
Names & synonyms
31749-12-9(3,4-Dihydroxyphenyl) 2-pyridyl ketone hydrobromideEINECS 250-790-8(3,4-Dihydroxyphenyl)-2-pyridinyl-methanone Hydrobromide(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide3,4-Dihydroxyphenyl 2-Pyridyl Ketone Hydrobromide;KTDLKYUKPICNPE-UHFFFAOYSA-NMethanone,(3,4-dihydroxyphenyl)-2-pyridinyl-, hydrobromide (1:1)AKOS030255164NS00050740
Database identifiers
- CAS
31749-12-9- PubChem CID
- 3015591
- EC Number
- 250-790-8
Properties
Computed structural properties
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- solubility
- soluble in DMSO, Ethanol, Water
- form
- Solid
- color
- Yellow Crystalline
Chemistry & industry
Applications
Uses(3,4-Dihydroxyphenyl)-2-pyridinyl-methanone Hydrobromide is an intermediate in synthesizing Rimiterol Hydrobromide (R517500), which is a sympathomimetic amine used as a bronchodilator in the treatment of asthma. Rimiterol is a highly specific b2-adrenoceptor agonist.
Suppliers1 total
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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