Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate - CAS 84793-24-8
Catalog: |
BB037314 |
Product Name: |
Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate |
CAS: |
84793-24-8 |
Synonyms: |
(2S)-2-[(4S)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoic acid ethyl ester; ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate |
IUPAC Name: | ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate |
Description: | Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate (CAS# 84793-24-8) is an impurity of Enalapril (E555250), an antihypertensive and an angiotensin-converting enzyme (ACE) inhibitor. |
Molecular Weight: | 305.33 |
Molecular Formula: | C16H19NO5 |
Canonical SMILES: | CCOC(=O)C(CCC1=CC=CC=C1)N2C(C(=O)OC2=O)C |
InChI: | InChI=1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1 |
InChI Key: | GFZFELCFSBCPDB-AAEUAGOBSA-N |
Boiling Point: | 414.788 °C at 760 mmHg |
Density: | 1.223 g/cm3 |
Solubility: | Soluble in DCM |
Appearance: | Solid |
MDL: | MFCD00272296 |
LogP: | 1.85610 |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113024632-A | Preparation method of imidapril hydrochloride | 20210328 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021097256-A1 | Cxcr4 antagonist peptides | 20191114 |
WO-2021030749-A1 | Therapeutic peptides | 20190815 |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.12632271 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.12632271 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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