Basic information
- Name:
Darifenacin hydrobromide
- CAS No.:
133099-07-7
- Molecular Structure:
- Formula:
- C28H30N2O2.HBr
- Molecular Weight:
- 507.47
- Synonyms:
- 2-[(3S)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide hydrobromide;Enablex (TN);3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (S)-;Enablex;Darifenacin HBr;
- Melting Point:
- 228-230 °C
- Boiling Point:
- 614.3 °C at 760 mmHg
- Flash Point:
- 325.3 °C
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Chemistry
Product Name: Darifenacin hydrobromide (CAS NO.133099-07-7)
Molecular Formula: C28H30N2O2.HBr
Molecular Weight: 507.47g/mol
Mol File: 133099-07-7.mol
Boiling point: 614.3 °C at 760 mmHg
Flash Point: 325.3 °C
Enthalpy of Vaporization: 91.16 kJ/mol
Vapour Pressure: 5E-15 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Darifenacin hydrobromide (CAS NO.133099-07-7):
IUPAC Name: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide
Canonical SMILES: C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
Isomeric SMILES: C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
InChI: InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1
InChIKey: UQAVIASOPREUIT-VQIWEWKSSA-N
Product Categories: APIs; Intermediates & Fine Chemicals; Pharmaceuticals
Specification
Darifenacin hydrobromide , its CAS NO. is 133099-07-7, the synonyms are (S)-2-{1-(2-(2,3-Dihydrobenzofuran-5-yl)ethyl)-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide ; 3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (3S)- .