Azelnidipine Impurity 4

Basic Information

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CAS Number

170749-59-4

Molecular Formula

C21H25N3O4

Molecular Weight

383.45 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 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

Basic Physical Properties

SMILES

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CC(=O)O.C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CC(=N)N

InChI

InChI=1S/C19H21N3O2.C2H4O2/c20-17(21)11-18(23)24-16-12-22(13-16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-2(3)4/h1-10,16,19H,11-13H2,(H3,20,21);1H3,(H,3,4)

InChIKey

DCGRISOXIFQLPD-UHFFFAOYSA-N

LogP

2.4203699999999997

Topological Polar Surface Area

116.71 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

449

Synonyms & References

English

DTXSID10670031
1-(diphenylmethyl)azetidin-3-yl 2-carbamimidoylacetate acetate
AC-4736
Acetic acid--1-(diphenylmethyl)azetidin-3-yl 3-amino-3-iminopropanoate (1/1)
SY003252
116574-10-8
SB11037
170749-59-4
AKOS015918376
CS-0054000
DCGRISOXIFQLPD-UHFFFAOYSA-N
1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoate Monoacetate
acetic acid;(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate
Q-103484
SCHEMBL3326188
BCP23238
1-BENZHYDRYLAZETIDIN-3-YL 3-AMINO-3-IMINOPROPANOATE ACETATE
1-(diphenylmethyl)azetidin-3-yl 2-carbamimidoylacetate; acetic acid
3-AMINO-3-IMINOPROPANOIC ACID 1-(DIPHENYLMETHYL)-3-AZETIDINYL ESTER ACETATE
MFCD09032928
AM20030138
AS-33900
1-Benzidlilazetidin-3-yl-3-amino-3-iminopropanoateMonoacetate
FT-0654535
A811233
amidinoacetic acid (1-benzhydryl-3-azetidinyl) ester acetate
1-Benzhydrylazetidin-3-yl 3-amino-3-iminopropanoate acetate
acetic acid,(1-benzhydrylazetidin-3-yl) 3-amino-3-iminopropanoate
2-carbaMiMidoylacetic acid
azetidinyl ester Monoacetate
3-Amino-3-iminopropanoic acid

MDL Number

MFCD09032928

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Azelnidipine Impurity 4 (CAS: 170749-59-4)?

Azelnidipine Impurity 4 is a crystalline solid with a molecular weight of approximately 438.49 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. Chemically, it shows limited reactivity under normal conditions but can undergo hydrolysis in the presence of strong acids or bases.

How is Azelnidipine Impurity 4 (CAS: 170749-59-4) typically synthesized?

Azelnidipine Impurity 4 is synthesized through a multi-step process involving acylation and cyclization reactions. The key steps include the introduction of a functional group followed by ring formation, yielding the impurity with a high degree of purity and selectivity. The overall yield is around 85%, with the use of mild conditions to achieve a clean product.

What industries use Azelnidipine Impurity 4 (CAS: 170749-59-4)?

Azelnidipine Impurity 4 is primarily used in the pharmaceutical industry as an intermediate in the synthesis of azelnidipine, a calcium channel blocker used in the treatment of hypertension and angina. It is also relevant in research and development for pharmaceutical and chemical companies.

What precautions should be taken when handling Azelnidipine Impurity 4 (CAS: 170749-59-4)?

When handling Azelnidipine Impurity 4, it is important to use personal protective equipment (PPE) such as gloves, a lab coat, and safety goggles. Work in a well-ventilated area or fume hood to avoid inhalation. Proper spill containment and disposal procedures should be followed. Refer to the Safety Data Sheet (SDS) for detailed instructions and emergency response guidelines.