(S)-2,2-Diphenyl-2-(3-pyrrolidinyl)acetonitrile - CAS 133099-11-3
Catalog: |
BB007694 |
Product Name: |
(S)-2,2-Diphenyl-2-(3-pyrrolidinyl)acetonitrile |
CAS: |
133099-11-3 |
Synonyms: |
2,2-diphenyl-2-[(3S)-3-pyrrolidinyl]acetamide; 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide |
IUPAC Name: | 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide |
Description: | (S)-2,2-Diphenyl-2-(3-pyrrolidinyl)acetonitrile (CAS# 133099-11-3) is a degradation product of darifenacin and also a darifenacin Cyano Pyrrolidine Impurity compound. |
Molecular Weight: | 262.35 |
Molecular Formula: | C18H18N2 |
Canonical SMILES: | C1CNCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N |
InChI: | InChI=1S/C18H20N2O/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H2,19,21)/t16-/m1/s1 |
InChI Key: | IVJSBKKYHVODFT-MRXNPFEDSA-N |
Boiling Point: | 488.5 °C at 760 mmHg |
Density: | 1.147 g/cm3 |
Appearance: | Lightbrown powder |
MDL: | MFCD09263622 |
LogP: | 3.09660 |
Publication Number | Title | Priority Date |
CN-103588694-A | Synthetic method of darifenacin intermediate | 20120813 |
JP-2012041277-A | Process for producing 1,3-position-2-substituted pyrrolidine compound or a salt thereof | 20100813 |
WO-2011138916-A1 | Polycyclic compound | 20100507 |
JP-2011126828-A | Process for producing 1,3-position-2-substituted pyrrolidine compound or a salt thereof | 20091218 |
WO-2011070419-A1 | An improved process for the preparation of darifenacin hydrobromide | 20091210 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.157563266 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.157563266 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Pyrrolidines
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