Darifenacin | CAS No. 133099-04-4

Darifenacin

Basic Information

CAS Number

133099-04-4

Molecular Formula

C28H30N2O2

Molecular Weight

426.56 g/mol

AD

Basic Physical Properties

Specific Rotation

25D -20.6° (c = 1.0 in methylene chloride)

C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C28H30N2O2/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)/t25-/m1/s1

InChIKey

HXGBXQDTNZMWGS-RUZDIDTESA-N

LogP

3.9575000000000022

pKa

pKa (25°): 9.2

Topological Polar Surface Area

55.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

607

Synonyms & References

English

  • 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-y l)ethyl]pyrrolidine
  • 2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrrolidin-3-yl}-2,2-diphenyl-acetamide (Darifenacin)
  • Darifenacin [USAN]
  • DARIFENACIN [VANDF]
  • DTXCID3028265
  • CS-1168
  • DB00496
  • darifenacine
  • 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide
  • NCGC00168775-07
  • GTPL321
  • (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide
  • Darifenacin (USAN/INN)
  • G04BD10
  • 2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide
  • DARIFENACIN [WHO-DD]
  • Darifenacin
  • Q166476
  • (S)-1-(2-(2,3-Dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-3-pyrrolidineacetamide
  • DARIFENACIN [INN]
  • UNII-APG9819VLM
  • CHEMBL1346
  • 2-((3S)-1-(2-(2,3-DIHYDROBENZOFURAN-5-YL)ETHYL)PYRROLIDIN-3-YL)-2,2-DIPHENYLACETAMIDE.
  • DARIFENACIN [MART.]
  • NCGC00168775-01
  • DARIFENACIN (MART.)
  • darifenicin
  • Darifenacinum
  • AC-302
  • SCHEMBL56574
  • 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidine

MDL Number

MFCD00896313

FAQ

What are the physical and chemical properties of Darifenacin (CAS: 133099-04-4)?

Darifenacin is a白色结晶性化合物,分子量约为371.42。它在水中的溶解度较低,在有机溶剂中的溶解性较好。化学性质相对稳定,但在强酸强碱条件下可能会发生水解反应。

How is Darifenacin (CAS: 133099-04-4) typically synthesized?

Darifenacin通常通过多步骤合成,涉及环化、酰化和氧化等反应。该合成路线使用了多种催化剂,最终产品选择性和收率较高。

What industries use Darifenacin (CAS: 133099-04-4)?

Darifenacin主要用于制药行业,作为治疗膀胱过度活动症的药物。此外,它还可能用于其他医疗领域,如神经科学。

What precautions should be taken when handling Darifenacin (CAS: 133099-04-4)?

在处理Darifenacin时,应佩戴防护眼镜和手套,操作应在通风橱内进行。避免与皮肤和眼睛接触。如有泄漏,应使用适当的吸收材料清理,并咨询安全数据表。

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