Basic information
- CAS
204205-15-2- Standard SMILES
CCOC(=O)/C=C1\CN(C(C(=O)C2CC2)c2ccccc2F)CCC1O- InChIKey
QHPMGOKMOQDGLM-SDNWHVSQSA-N- Molecular formula
- C20H24FNO4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.16893641
Names & identifiers
- Preferred name
- ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxypiperidin-3-ylidene]acetate
- IUPAC
- ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxypiperidin-3-ylidene]acetate
- English name
- (2E)-2-[1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxy-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)
- Molecular formula
- C20H24FNO4
- Molecular weight
- 361.41
Names & synonyms
204205-15-2ethyl (2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxypiperidin-3-ylidene]acetateSCHEMBL6573434DB-246801(2E)-2-[1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxy-3-piperidinylidene]acetic Acid Ethyl Ester (Mixture of Diastereomers)(2E)-2-[1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxy-3-piperidinylidene]acetic Acid Ethyl EsterAcetic acid, 2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-hydroxy-3-piperidinylidene]-, ethyl ester, (2E)-
Database identifiers
- CAS
204205-15-2- PubChem CID
- 23000819
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 560
Chemistry & industry
Applications
UsesIntermediate in the preparation of Prasugrel metabolites.
Suppliers3 total
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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