Candesartan Cilexetil Impurity 9

Basic Information

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CAS Number

136285-67-1

Molecular Formula

C23H19N3O4

Molecular Weight

401.4 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

602.9°C at 760 mmHg

SMILES

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CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H19N3O4/c1-2-30-23(27)20-8-5-9-21(26(28)29)22(20)25-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-24/h3-13,25H,2,15H2,1H3

InChIKey

CHPMKOFPDCKNBG-UHFFFAOYSA-N

LogP

5.51848

Complexity

632

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

AKOS015889761
Ethyl 2-[N-[(2'-Cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
SCHEMBL3976878
ethyl-2-(((2'-cyanobiphenyl-4-yl)methyl)amino)-3-nitrobenzoate
DS-13833
AMY37071
Ethyl 2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate
ethyl 2-[(2'cyanobiphenyl-4-yl]-methyl]amino-3-nitrobenzoate
2,5,6-TRIMETHYL-3-ETHYLBENZOXAZOLIUMIODIDE
BCP13069
Ethyl 2-{[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoate
2-[[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester
DTXSID20475918
136285-67-1
FT-0643253
CS-0445295
J-006828
Ethyl 2-[(2'-cyanobiphenyl-4-yl)methyl]amino-3-nitrobenzoate
Ethyl-2-[[(2 inverted exclamation marka-cyanobiphenyl-4-yl)amino]-3-nitrobenzoate
O11737
CHPMKOFPDCKNBG-UHFFFAOYSA-N
ETHYL-2-[[(2'-CYANOBIPHENYL-4-YL)METHYL]AMINO]-3-NITROBENZOATE
ethyl 2-((2'-cyanobiphenyl-4-yl)methylamino)-3-nitrobenzoate
AC-27008
2-[[(2/'-Cyano[1,1/'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester
2-(((2'-cyano(1,1'-biphenyl)-4-yl)methyl)amino)-3-nitrobenzoic acid ethyl ester
ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-nitrobenzoate
Ethyl-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate
2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)methyl]amino]-3-nitro-benzoic acid ethyl ester
Ethyl-2-[(2′-cyanobiphenyl-4-yl)methylamino]-3-nitrobenzoate
Candesartan Impurity 4

MDL Number

MFCD09030634

FAQ

What are the physical and chemical properties of Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1)?

Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1) is a white to off-white crystalline powder. Its molecular weight is approximately 484.57 g/mol. This impurity is slightly soluble in water and ethanol. It is relatively stable under normal conditions but may react with strong acids or bases. Detailed physicochemical properties include melting point (about 110-115°C) and density (1.58 g/cm³).

How is Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1) typically synthesized?

Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1) is synthesized via a multistep process involving acylation, cyclization, and esterification reactions. Common catalysts used include sulfonyl chlorides and carboxylic acids. The synthesis typically achieves a yield of around 75%, with high selectivity towards the desired impurity. Detailed synthetic routes and purification methods can be found in chemical literature.

What industries use Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1)?

Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1) is primarily used in the pharmaceutical industry, particularly in the production of candesartan cilexetil, a vasopressor agent used to treat hypertension. It also finds applications in research and development for drug screening and quality control. Its presence is monitored to ensure the purity of the final drug product.

What precautions should be taken when handling Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1)?

When handling Candesartan Cilexetil Impurity 9 (CAS: 136285-67-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, lab coats, and safety goggles. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly washed down. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.