Benidipine Impurity 4 (Nifedipine) | CAS No. 21829-25-4

Q: What is Benidipine Impurity 4 (CAS: 21829-25-4)?

Benidipine Impurity 4, also known as Nifedipine (CAS 21829-25-4), is a chemical compound commonly identified as an impurity during the synthesis or purification of Benidipine. It has a molecular formula of C17H18Cl2N2O4 and is typically a white crystalline solid with low solubility in water. This compound is structurally related to calcium channel blockers and may arise from incomplete reactions or degradation processes in pharmaceutical manufacturing.

Q: What are the main uses of Benidipine Impurity 4 (CAS: 21829-25-4)?

Benidipine Impurity 4 (CAS 21829-25-4) is primarily used in pharmaceutical quality control to identify and quantify impurities in Benidipine production. It also serves as a research tool for studying metabolic pathways and drug stability. Additionally, it may be employed in analytical chemistry for method validation and impurity profiling in drug substances, ensuring compliance with regulatory standards like ICH Q3A.

Q: Is Benidipine Impurity 4 (CAS: 21829-25-4) safe?

Benidipine Impurity 4 (CAS 21829-25-4) is generally considered safe in trace amounts, but its safety depends on exposure levels and handling. As with many chemical impurities, it requires proper protective measures, such as gloves and ventilation, during handling. Toxicological data suggests minimal acute toxicity, but long-term effects are less documented. Safety standards emphasize adherence to guidelines for pharmaceutical impurities, ensuring it does not compromise drug purity or efficacy.

Q: How should Benidipine Impurity 4 (CAS: 21829-25-4) be stored?

Benidipine Impurity 4 (CAS 21829-25-4) should be stored in a sealed, cool, and dry container, away from light and moisture. It is stable at temperatures between 2°C and 8°C, with humidity levels below 40% recommended to prevent degradation. Avoid exposure to heat or direct sunlight, and store in a well-ventilated area to maintain its chemical integrity and safety.

Benidipine Impurity 4 (Nifedipine)

Basic Information

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CAS Number

21829-25-4

Molecular Formula

C17H18N2O6

Molecular Weight

346.33 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

Melting Point

172.0 to 175.0 deg-C

Boiling Point

481.08°C (rough estimate)

Water Solubility

<0.1 g/100 mL at 19.5 ºC

Flash Point

241.2 °C

Solubility

DMSO: soluble

Refractive Index

1.5486 (estimate)

SMILES

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COC(=O)C1=C(C)NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3

InChIKey

HYIMSNHJOBLJNT-UHFFFAOYSA-N

LogP

3.02760

Complexity

608

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

对光线敏感

Toxicity

LD50 in mice, rats (mg/kg): 494, 1022 orally; 4.2, 15.5 i.v. (Vater)

Synonyms & References

English

Nifedipine
1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylicaciddime
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester
4-(2’-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethy
5-pyridinedicarboxylicacid,1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-dim
Adalat CC
bay1040
corinfar
Dimethyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
ALDIPIN ANIFED
Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
nifedipin
Nifedipine (BAY 1040, Cordipin, Adalat®, Nifediac®, Nifedical®, Procardia®, Afeditab® )
1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic Acid Dimethyl Ester
4-(2'-nitrophenyl)-2,6-dimethyl-3,5-dicarbmethoxy-1,4-dihydropyridine
Adalat
Cordipin
Fenihidin
Fenihidine
Procardia
Procardia XL
Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate
Oxcord
Citilat
Adalate
Nifediac
Afeditab CR
Hexadilat
Tibricol
Nifangin

MDL Number

MFCD00057326

Customs Code

2933290090

FAQ

What is Benidipine Impurity 4 (CAS: 21829-25-4)?

Benidipine Impurity 4, also known as Nifedipine (CAS 21829-25-4), is a chemical compound commonly identified as an impurity during the synthesis or purification of Benidipine. It has a molecular formula of C17H18Cl2N2O4 and is typically a white crystalline solid with low solubility in water. This compound is structurally related to calcium channel blockers and may arise from incomplete reactions or degradation processes in pharmaceutical manufacturing.

What are the main uses of Benidipine Impurity 4 (CAS: 21829-25-4)?

Benidipine Impurity 4 (CAS 21829-25-4) is primarily used in pharmaceutical quality control to identify and quantify impurities in Benidipine production. It also serves as a research tool for studying metabolic pathways and drug stability. Additionally, it may be employed in analytical chemistry for method validation and impurity profiling in drug substances, ensuring compliance with regulatory standards like ICH Q3A.

Is Benidipine Impurity 4 (CAS: 21829-25-4) safe?

Benidipine Impurity 4 (CAS 21829-25-4) is generally considered safe in trace amounts, but its safety depends on exposure levels and handling. As with many chemical impurities, it requires proper protective measures, such as gloves and ventilation, during handling. Toxicological data suggests minimal acute toxicity, but long-term effects are less documented. Safety standards emphasize adherence to guidelines for pharmaceutical impurities, ensuring it does not compromise drug purity or efficacy.

How should Benidipine Impurity 4 (CAS: 21829-25-4) be stored?

Benidipine Impurity 4 (CAS 21829-25-4) should be stored in a sealed, cool, and dry container, away from light and moisture. It is stable at temperatures between 2°C and 8°C, with humidity levels below 40% recommended to prevent degradation. Avoid exposure to heat or direct sunlight, and store in a well-ventilated area to maintain its chemical integrity and safety.