(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid - 2-methyl-2-propanamine (1:1) (non-preferred name)

Basic Information

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CAS Number

107133-36-8

Molecular Formula

C23H43N3O5

Molecular Weight

441.61 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 Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

126-130°C

Boiling Point

537.4°C at 760 mmHg

Flash Point

No data available

Solubility

H2O: soluble10mg/mL, clear

Vapor Pressure

No data available

SMILES

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CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.CC(C)(C)N

InChI

InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1

InChIKey

IYNMDWMQHSMDDE-MHXJNQAMSA-N

LogP

2.6842000000000015

Topological Polar Surface Area

121.96000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

549

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

(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid, 1-ethyl ester, compound with tert-butylamine (1:1)
PERINDOPRIL TERT-BUTYLAMINE (EP MONOGRAPH)
107133-36-8
SCHEMBL41679
SR-05000001835
CAS-107133-36-8
HMS2093M06
CS-1904
PERINDOPRIL ERBUMINE
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid tert-butylamine salt
PERINDOPRIL ERBUMINE [USP-RS]
HMS1922N07
PERINDOPRIL ERBUMINE (USP-RS)
NS00076190
Perindopril for stereochemical purity, European Pharmacopoeia (EP) Reference Standard
(2S,3aS,7aS)-1-{(S)-2-[(S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydroindole-2-carboxylic acid--1,1-dimethylethanamine (1/1)
PERINDOPRIL T-BUTYLAMINE
1H-Indole-2-carboxylic Acid, 1-(2-((1-(ethoxycarbonyl)butyl)amino)-1-oxopropyl)octahydro-,(2S-(1(R*(R*))2alpha,3abeta,7abeta))-, compound with 2-Methyl-2-propanamine(1:1)
Coversyl
Perindopril erbumine (JAN/USP)
IYNMDWMQHSMDDE-MHXJNQAMSA-N
Perindopril (erbumine)
Perindopril erbumine [USAN]
Perindopril erbumine, Pharmaceutical Secondary Standard; Certified Reference Material
CCG-39035
DTXCID9024198
NCGC00357164-01
PERINDOPRIL ERBUMINE [MART.]
PERINDOPRIL TERT-BUTYLAMINE [MI]
PERINDOPRIL ERBUMINE [JAN]
S9490-3

MDL Number

MFCD02313824

FAQ

What is (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid - 2-methyl-2-propanamine (1:1) (CAS: 107133-36-8)?

This compound, with the CAS number 107133-36-8, is a complex organic molecule containing an indole ring and multiple chiral centers. It is a derivative of indole-2-carboxylic acid, with structural modifications including ethoxy and methyl groups. The compound exhibits specific stereochemistry, with the (2S,3aS,7aS) and (2S) configurations, making it relevant in specialized chemical applications. It is commonly used in research settings for its potential pharmacological properties.

What are the main uses of (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid - 2-methyl-2-propanamine (1:1) (CAS: 107133-36-8)?

This compound is primarily used in pharmaceutical research for its potential as a drug candidate, particularly in the development of treatments for neurological disorders. It may also be utilized in organic synthesis as a building block for more complex molecules. Due to its unique structure, it is of interest in biochemical studies and may find applications in medicinal chemistry and drug discovery.

Is (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid - 2-methyl-2-propanamine (1:1) (CAS: 107133-36-8) safe?

Safety data for this compound is limited, but as a research chemical, it is generally considered safe when handled properly. Precautions include wearing personal protective equipment (PPE) such as gloves and goggles, and working in a well-ventilated area. It is important to follow standard safety protocols for handling organic compounds, especially those with multiple functional groups. Proper disposal is also essential to comply with environmental regulations.

How should (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid - 2-methyl-2-propanamine (1:1) (CAS: 107133-36-8) be stored?

This compound should be stored in a cool, dry place away from direct light. It is recommended to keep it in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is ideal to maintain stability. Avoid exposure to air and incompatible substances to ensure long-term integrity and safety.