Basic information
- CAS
88349-61-5- Standard SMILES
CCO/C=C(/C(C)=O)c1ccncc1- InChIKey
IATKKGJZTHMRBF-FLIBITNWSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 4-Ethoxy-3-(pyridin-4-YL)but-3-EN-2-one
- IUPAC
- (E)-4-ethoxy-3-pyridin-4-ylbut-3-en-2-one
- English name
- 4-ethoxy-3-(4-pyridyl)-3-buten-2-one
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
4-ETHOXY-3-(PYRIDIN-4-YL)BUT-3-EN-2-ONE88349-61-5Milrinone Impurity H4-Ethoxy-3-(4-pyridyl)-3-buten-2-onestarbld0003077(E)-4-Ethoxy-3-(pyridin-4-yl)but-3-en-2-oneSCHEMBL10910668EINECS 289-405-3AKOS006311165Milrinone Impurities23-Buten-2-one, 4-ethoxy-3-(4-pyridinyl)-(E)-4-ethoxy-3-pyridin-4-ylbut-3-en-2-one
Database identifiers
- CAS
88349-61-5- PubChem CID
- 6366133
- EC Number
- 289-405-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Ethoxy-3-(4-pyridinyl)-3-buten-2-one (Milrinone Impurity 11) is an impurity of Milrinone (M344680), a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Cardiotonic.
Suppliers31 total
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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