Diphenoxylate hydrochloride

Basic Information

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CAS Number

3810-80-8

Molecular Formula

C30H33ClN2O2

Molecular Weight

489 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

Melting Point

220.5-222 ºC

Boiling Point

602.3°Cat760mmHg

Flash Point

318°C

SMILES

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CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H

InChIKey

SHTAFWKOISOCBI-UHFFFAOYSA-N

LogP

6.22318

Complexity

666

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

DIPHENOXYLATE HYDROCHLORIDE [USP-RS]
DTXSID3047843
COLONAID COMPONENT DIPHENOXYLATE HYDROCHLORIDE
Diphenoxylate Hydrochloride (1.0mg/ml in Acetonitrile)
DIPHENOXYLATE HYDROCHLORIDE [MART.]
Diphenoxylate hydrochloride
LOMOTIL COMPONENT DIPHENOXYLATE HYDROCHLORIDE
NCGC00167963-02
Diphenoxylate hydrochloride cii
MLS001401383
DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOMANATE
UNII-W24OD7YW48
NC00252
DIPHENOXYLATE HYDROCHLORIDE [VANDF]
Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride
DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF DI-ATRO
DIPHENOXYLATE HYDROCHLORIDE [USP MONOGRAPH]
Tox21_112593_1
R-1132 (ANTIPERISTALTIC)
DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF COLONAID
DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOW-QUEL
DIPHENOXYLATE HYDROCHLORIDE [MI]
DIPHENOXYLATE HYDROCHLORIDE COMPONENT OF LOMOTIL
DTXCID3027821
DI-ATRO COMPONENT DIPHENOXYLATE HYDROCHLORIDE
Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride
DIPHENOXYLATI HYDROCHLORIDUM [WHO-IP LATIN]
LOGEN COMPONENT DIPHENOXYLATE HYDROCHLORIDE
W24OD7YW48
AKOS027382491
R 1132 (antiperistaltic)

FAQ

What are the physical and chemical properties of Diphenoxylate hydrochloride (CAS: 3810-80-8)?

Diphenoxylate hydrochloride (CAS: 3810-80-8) is a white crystalline powder with a molecular weight of approximately 330.76 g/mol. It has a solubility of about 5 g/L in water and is relatively stable under normal conditions. It reacts with bases to form phenoxide salts and is sensitive to strong oxidizing agents.

How is Diphenoxylate hydrochloride (CAS: 3810-80-8) typically synthesized?

Diphenoxylate hydrochloride (CAS: 3810-80-8) is synthesized by the reaction of diphenyl ether with hydrochloric acid in the presence of a suitable catalyst like a strong base. The yield is typically around 85-90%, and the reaction is carried out under mild conditions to ensure high selectivity.

What industries use Diphenoxylate hydrochloride (CAS: 3810-80-8)?

Diphenoxylate hydrochloride (CAS: 3810-80-8) is primarily used in the pharmaceutical industry as an anti-diarrheal agent. It is not commonly used in other industries like polymers, sensors, or semiconductors.

What precautions should be taken when handling Diphenoxylate hydrochloride (CAS: 3810-80-8)?

When handling Diphenoxylate hydrochloride (CAS: 3810-80-8), it is essential to use personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from strong acids and bases. In case of a spill, it must be handled according to the safety data sheet (SDS) guidelines, and the area should be ventilated.