(2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid

Basic Information

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CAS Number

87679-37-6

Molecular Formula

C24H34N2O5

Molecular Weight

430.55 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

Melting Point

122-123°C

Boiling Point

626 oC at 760 mmHg

Density

1.181

Flash Point

332.4 oC

Solubility

DMSO: ≥20mg/mL

Refractive Index

1.549

SMILES

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CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@H]3CCCC[C@@H]32)C(=O)O

InChI

1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1

InChIKey

VXFJYXUZANRPDJ-WTNASJBWSA-N

LogP

2.7733

Topological Polar Surface Area

95.94000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

634

Safety Information

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Hazard Statement

Synonyms & References

English

Trandolapril
(2s,3ar,7as)-1-[(2s)-2-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
RU44570
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid,form I crystalline polymorph of
1-[2-[(1-ethoxycarbonyl-3-phenylpropyl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Odrik
Preran
Trandolaprilum [Latin]
Mavik
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid (ACI)
1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aα,7aβ]]- (ZCI)
Gopten
RU 44570

MDL Number

MFCD00865776

FAQ

What is (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid (CAS: 87679-37-6)?

This compound is a complex organic molecule with a unique structure, characterized by its indole core and various functional groups. It is represented by the CAS number 87679-37-6. Its chemical formula is C25H29NO4. This compound has properties that include solubility in organic solvents and specific optical properties due to its stereochemistry.

What are the main uses of (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid (CAS: 87679-37-6)?

The compound is primarily used in the development of pharmaceuticals, particularly in the treatment of neurological conditions. It also has applications in research studies, where its unique structural features make it valuable for studying receptor interactions.

Is (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid (CAS: 87679-37-6) safe?

The safety of the compound depends on its intended use. It is generally safe when handled with proper precautions. Users should avoid contact with skin and eyes, and should wear appropriate protective equipment. Storage and disposal should comply with relevant safety guidelines and regulations.

How should (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid (CAS: 87679-37-6) be stored?

The compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Ideal storage conditions are below 25°C and with a relative humidity below 50%. Use appropriate storage containers to prevent contamination and ensure the integrity of the compound.