2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride

Basic Information

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CAS Number

152-11-4

Molecular Formula

C27H39ClN2O4

Molecular Weight

491.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

142 °C (dec.)

Boiling Point

586.1°C at 760 mmHg

Flash Point

9℃

Solubility

H2O: >30 mg/mL

Refractive Index

1.6290 (estimate)

SMILES

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CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

InChI

InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H

InChIKey

DOQPXTMNIUCOSY-UHFFFAOYSA-N

LogP

5.89508

pKa

8.6(at 25℃)

Complexity

606

Safety Information

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GHS Hazard Pictograms

H301

H311

H331

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in mice, rats (mg/kg): 7.6, 16 i.v.; 68, 107 s.c.; 68, 67 i.p.; 163, 114 orally (Haas, Hrtfelder)

Synonyms & References

English

Cardiabeltin
Civicor Retard
LU-20175
Verelan (TN)
CCG-39491
Inselon
Verasal
Verapamil hydrochloride, United States Pharmacopeia (USP) Reference Standard
VERAPAMIL HYDROCHLORIDE (EP MONOGRAPH)
Verapamil HCl
CHEBI:53188
Verapamil PB
Vortac
Cardibeltin
HB1237
Z1557407143
Opera_ID_1210
Manidon
5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile monohydrochloride
Hydrochloride, Verapamil
Geangin
Calaptin
SR-01000000050-4
Cordilox SR
Veratensin
VERAPAMIL HYDROCHLORIDE (USP-RS)
Verasifar
Verabeta
EU-0101237
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile hydrochloride
Calan SR

MDL Number

MFCD00055208

Customs Code

2926909090

FAQ

What is 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride (CAS: 152-11-4)?

2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride (CAS: 152-11-4) is a synthetic organic compound with a complex structure featuring a nitrile group, aromatic dimethoxyphenyl moieties, and a quaternary ammonium salt. It is typically a white to off-white solid with moderate solubility in polar solvents. The compound is known for its pharmaceutical relevance and is used as an intermediate in drug synthesis.

What are the main uses of 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride (CAS: 152-11-4)?

This compound is primarily utilized in pharmaceutical research for the development of antihypertensive and anti-inflammatory drugs. It serves as a key intermediate in the synthesis of various bioactive molecules. Additionally, it may find applications in chemical synthesis and as a research tool in medicinal chemistry due to its structural complexity and reactivity.

Is 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride (CAS: 152-11-4) safe?

Safety of this compound requires careful handling due to potential toxicity. It is classified as a hazardous material with irritant properties, particularly to the skin, eyes, and respiratory system. Protective measures include wearing gloves, goggles, and a lab coat, and working in a well-ventilated area. Always follow OSHA and EPA guidelines for chemical exposure and disposal.

How should 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile hydrochloride (CAS: 152-11-4) be stored?

Store this compound in a sealed, dry container at 2-8°C to maintain stability. Protect from light and moisture to prevent degradation. Keep in a cool, well-ventilated area away from incompatible substances. For long-term storage, use airtight glass or plastic containers with desiccant to ensure optimal preservation and safety.