Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate

Basic Information

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CAS Number

211915-06-9

Molecular Formula

C34H41N7O5

Molecular Weight

627.75 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

128-129°

Boiling Point

827.9°C at 760 mmHg

SMILES

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CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4

InChI

InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)

InChIKey

KSGXQBZTULBEEQ-UHFFFAOYSA-N

LogP

5.602600000000005

Topological Polar Surface Area

154.02999999999997 Å²

Hydrogen Bond Donor/Acceptor

3 / 12

Complexity

991

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

DTXSID4057681
Ethyl 3-{[(2-{[(4-{[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate
Dabigatran etexilate [USAN:INN:BAN]
Pradax
Hexyl 2-(4-(((5-((3-ethoxy-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methyl)amino)benzylidene)hydrazinecarboxylate
EN300-1708005
DABIGATRAN ETEXILATE (MART.)
2E18WX195X
AMY4198
AKOS015951090
dabigatran-etexilate
.BETA.-ALANINE, N-((2-(((4-((((HEXYLOXY)CARBONYL)AMINO)IMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER
1019206-66-6
DTXCID5031470
PRADAXA (DABIGATRAN ETEXILATE)
DABIGATRAN ETEXILATE [USAN]
FT-0650701
D5904
MFCD18385005
Tox21_113924
NCGC00262929-01
Ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
DABIGATRAN ETEXILATE [VANDF]
beta-Alanine, N-((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester
DABIGATRAN ETEXILATE [WHO-DD]
Ethyl 3-(((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)(pyridin-2-yl)amino)propanoate
CCG-270280
Prazaxa
CAS-211915-06-9
DABIGATRAN ETEXILATE [MART.]
Dabigatran etexilate [INN]

MDL Number

MFCD16038312

Customs Code

2933990090

FAQ

What is Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9)?

Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9) is a complex organic compound with potential pharmaceutical applications. It contains a beta-alanine moiety linked to a benzimidazole ring and a pyridine group, making it a valuable candidate for drug development. The compound is known for its structural complexity and may exhibit specific biological activity.

What are the main uses of Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9)?

Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9) is primarily used in pharmaceutical research for its potential as a therapeutic agent. It may be employed in the development of drugs targeting specific biological pathways, especially in medicinal chemistry and drug design. Its unique structure suggests applications in enzyme inhibition and receptor modulation.

Is Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9) safe?

Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9) is generally considered safe when handled properly in controlled laboratory settings. As with many chemical compounds, it should be treated with caution, and appropriate safety measures such as gloves and eye protection should be used. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9) be stored?

Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate (CAS: 211915-06-9) should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prevents degradation over time.