2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide

Basic Information

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CAS Number

133099-07-7

Molecular Formula

C28H31BrN2O2

Molecular Weight

507.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

228-235°C

Boiling Point

614.3°C at 760 mmHg

Flash Point

No data available

Solubility

DMSO: soluble20mg/mL, clear

Vapor Pressure

No data available

Specific Rotation

+35° (c=1, DCM)

SMILES

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C1CN(CC1C(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

LogP

4.5354000000000045

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

607

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Sensitive to moisture

Synonyms & References

English

DARIFENACIN HYDROBROMIDE [ORANGE BOOK]
UK-88525-04
Emselex
CAS-133099-07-7
2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide hydrobromide
Darifenacin hydrobromide
Darifenacin hydrobromide (JAN/USAN)
3-PYRROLIDINEACETAMIDE, 1-(2-(2,3-DIHYDRO-5-BENZOFURANYL)ETHYL)-alpha,alpha-DIPHENYL-, MONOHBR, (3S)-
Enablex (TN)
AKOS015969311
(S)-2-{1-[2-(2,3-Dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidnyl}-2,2-diphenylacetamide hydrobromide
CS-0380
3-PYRROLIDINEACETAMIDE, 1-(2-(2,3-DIHYDRO-5-BENZOFURANYL)ETHYL)-.ALPHA.,.ALPHA.-DIPHENYL-, MONOHYDROBROMIDE, (3S)-
BD164350
3-Pyrrolidineacetamide, 1-(2-(2,3-dihydro-5-benzofuranyl)ethyl)-alpha,alpha-diphenyl-, monohydrobromide, (3S)-
AC-1894
Darifenacin hydrobromide, United States Pharmacopeia (USP) Reference Standard
Tox21_112636
Darifenacin (hydrobromide)
MFCD08141803
UK-88525-04 (HYDROBROMIDE)
CR02EYQ8GV
Darifenacin hydrobromide [USAN]
Tox21_112636_1
Darifenacin hydrobromide, >=98% (HPLC)
DTXSID9046780
NCGC00168775-01
Q-101006
Q27114313
3-PYRROLIDINEACETAMIDE, 1-(2-(2,3-DIHYDRO-5-BENZOFURANYL)ETHYL)-.ALPHA.,.ALPHA.-DIPHENYL-, MONOHBR, (3S)-
UQAVIASOPREUIT-VQIWEWKSSA-N

MDL Number

MFCD08141803

FAQ

What is 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide (CAS: 133099-07-7)?

2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide is a chemical compound with a complex structure, consisting of a benzofuran derivative, a pyrrolidine ring, and a diphenylacetamide core, with hydrobromide as a salt. This compound is used primarily in pharmaceutical research and development.

What are the main uses of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide (CAS: 133099-07-7)?

The main use of 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide is in the development of new pharmaceuticals, particularly in the fields of oncology and pain management. It is used as a research tool to evaluate potential drug candidates.

Is 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide (CAS: 133099-07-7) safe?

2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide is generally safe when handled properly. It is important to follow safety guidelines, such as wearing protective gloves and goggles, and storing it in a cool, dry place away from direct sunlight. Always consult with a professional for specific safety measures.

How should 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide (CAS: 133099-07-7) be stored?

2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide hydrobromide should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Proper storage conditions ensure the compound's stability and safety.