Candesartan Cilexetil Impurity 20

Basic Information

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CAS Number

170791-09-0

Molecular Formula

C52H48N6O6

Molecular Weight

852.99 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

180-188°C

SMILES

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CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OC(C)OC(=O)OC9CCCCC9

InChI

InChI=1S/C52H48N6O6/c1-3-61-50-53-46-30-18-29-45(49(59)62-36(2)63-51(60)64-42-25-14-7-15-26-42)47(46)57(50)35-37-31-33-38(34-32-37)43-27-16-17-28-44(43)48-54-55-56-58(48)52(39-19-8-4-9-20-39,40-21-10-5-11-22-40)41-23-12-6-13-24-41/h4-6,8-13,16-24,27-34,36,42H,3,7,14-15,25-26,35H2,1-2H3

InChIKey

MOHQWFWIPOOTGV-UHFFFAOYSA-N

LogP

10.632699999999993

Topological Polar Surface Area

132.48 Å²

Hydrogen Bond Donor/Acceptor

0 / 12

Complexity

1410

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(1RS)-1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylate
1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
UNII-006A6A2YSO
Q27231326
SCHEMBL2477228
C73285
1-(Cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(N-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate
(+/-)-Trityl candesartan cilexetil
C52H48N6O6
CANDESARTAN CILEXETIL IMPURITY H [EP IMPURITY]
1-(Cyclohexyloxycarbonyloxy)ethyl-2-ethoxy-1-[[2'-(N-triphenylmethyltetrazole-5-yl)biphenyl-4-yl]methy]benzimidazole-7-carboxylate
AB42672
EC 605-586-7
(+/-)-1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-[2'-(N-triphenylmethyl-1H-tetrazol-5-yl)biphenyl-4-yl]methylbenzimidazole-7-carboxylate
1-[[(cyclohexyloxy)carbonyl]oxy]ethyl 2-ethoxy-1-[[2'-(1-triphenylmethyl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, 1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester
AM90298
Trityl candesartan cilexetil
2-phenyl-2H-benzo[b][1,4]thiazin-3(4H)-one
006A6A2YSO
2-Ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-7-benzimidazolecarboxylic acid 1-(cyclohexyloxycarbonyloxy)ethyl ester
Candesartan cilexetil specified impurity H [EP]
1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
NS00004639
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 1-(((cyclohexyloxy)carbonyl)oxy)ethyl ester
MOHQWFWIPOOTGV-UHFFFAOYSA-N
AC-6865
1-(cyclohexyloxycarbonyloxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
170791-09-0
AKOS015896145
DTXSID901308612

MDL Number

MFCD07781274

FAQ

What are the physical and chemical properties of Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0)?

Candesartan Cilexetil Impurity 20, also known as Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0), is a white to off-white crystalline solid with a molecular weight of approximately 511.6 g/mol. It is slightly soluble in water and ethanol. The compound is stable under normal storage conditions but reacts with strong acids and bases. It is commonly used as an impurity in pharmaceutical applications.

How is Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0) typically synthesized?

Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0) is typically synthesized through a series of chemical reactions involving the cilexetil esterification of candesartan. The process involves the use of organic solvents and catalysts to achieve high yield and selectivity. Laboratory scale synthesis often requires precise control of reaction conditions to ensure product purity.

What industries use Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0)?

Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0) is primarily used in the pharmaceutical industry as a quality control impurity in candesartan-based medications. It is also relevant in research and development for the evaluation of impurities in drug formulations.

What precautions should be taken when handling Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0)?

When handling Candesartan Cilexetil Impurity 20 (CAS: 170791-09-0), it is important to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation or skin contact. Ensure proper storage and disposal according to the safety data sheet (SDS). In case of spill, clean up using appropriate methods and seek assistance as necessary.