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9 Gangwal Healthcare
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10 Kerry
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Chemistry

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Also known as: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid;chloride, Chebi:59790, 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid hydrochloride, 4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium chloride, 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride

Molecular Formula

C₂₈H₂₉ClN₂O₂

Molecular Weight

461.0 g/mol

InChI Key

VMIZTXDGZPTKIK-UHFFFAOYSA-N

1 2D Structure

Difenoxin Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid;chloride

2.1.2 InChI

InChI=1S/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H

2.1.3 InChI Key

VMIZTXDGZPTKIK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C[NH+](CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic Acid;chloride

2. Chebi:59790

3. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic Acid Hydrochloride

4. 4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium Chloride

5. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic Acid Hydrochloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₉ClN₂O₂
Molecular Weight	461.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	460.1917559 g/mol
Monoisotopic Mass	460.1917559 g/mol
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	636
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CHEMISTRY

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ACTIVE PHARMA INGREDIENTS

1 API Suppliers

1 USDMF

1 NDC API

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INTERMEDIATES

1 Intermediates Suppliers

FINISHED DOSAGE FORMULATIONS

2 FDF Dossiers

2 FDA Orange Book

RELATED EXCIPIENT COMPANIES

4 SPI Pharma

1 Faran Shimi Pharmaceutical

9 Gangwal Healthcare

2 Anhui Sunhere Pharmaceutical Excipients Co.,Ltd

3 DFE Pharma

3 Gangwal Chemicals

1 Ideal Cures Pvt Ltd

2 Ingredion Pharma Solutions

10 Kerry

5 Microlex e.U

1 Pharmatrans-Sanaq

1 Pluviaendo

1 Prachin Chemical

13 Roquette

1 Seppic

3 Shanghai Shenmei Pharmaceutical Technology Co., Ltd

8 Sigachi Industries

2 Vasa Pharmachem

EXCIPIENTS BY APPLICATIONS

33 Fillers, Diluents & Binders

21 Direct Compression

12 Co-Processed Excipients

10 Thickeners and Stabilizers

9 Disintegrants & Superdisintegrants

7 Granulation

6 Lubricants & Glidants

5 Controlled & Modified Release

5 Chewable & Orodispersible Aids

5 Taste Masking

3 Coating Systems & Additives

1 Rheology Modifiers

1 Film Formers & Plasticizers

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