(2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name)

Basic Information

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CAS Number

87333-19-5

Molecular Formula

C23H32N2O5

Molecular Weight

416.52 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

107.0 to 111.0 deg-C

Boiling Point

616.2 °C at 760 mmHg

Density

1.2

Flash Point

616.2 °C at 760 mmHg

Solubility

DMSO: ~18mg/mL

Specific Rotation

+13 ~ +17° (c=1, MeOH)

SMILES

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

InChI

InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1

InChIKey

HDACQVRGBOVJII-JBDAPHQKSA-N

LogP

2.3831999999999995

Topological Polar Surface Area

95.94000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

619

Safety Information

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GHS Hazard Pictograms

H360

Hazard Statement

H360 May damage fertility or the unborn child
Reproductive toxicity

Toxicity

LD50 (14 day) in male, female mice, male, female rats (mg/kg): 1194, 1158, 687, 608 i.v.; 10933, 10048, >10000, >10000 orally (Donaubauer, Mayer)

Synonyms & References

English

Ramipril
(2S,3aS,6aS)-1((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid, 1-ethyl ester
Altace
Ramipril-d3
(2S,3aS,6aS)-1-((S)-2-((S)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid
CARDACE
DELIX
HOE-498
PRAMACE
RAMACE
Trimce
TRITACE
UNIPRIL
vesdil
[2S,3aS,6aS]-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid
(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydrocyclopenta[b]pyrrole-2-carboxylic Acid
(2S,3aS,6aS)-1((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid 1-ethyl ester
Tritace
(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (ACI)
Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aβ,6aβ]]- (ZCI)
Cardace
Corpril
Delix
Ecator
HOE 498
Hopace
MeSH ID: D017257
Pramace
Ramace
Ramipres
Rampicardin

MDL Number

MFCD00865775

Customs Code

3004909090

FAQ

What is (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (CAS: 87333-19-5)?

This compound, with the CAS number 87333-19-5, is a complex organic molecule characterized by its cyclopenta[b]pyrrole ring system and multiple stereocenters. It contains functional groups such as carboxylic acid, amino, and ethoxy, making it a potential candidate for pharmaceutical and biochemical applications. Its molecular structure suggests it may exhibit specific biological activity, though it is not commonly used in commercial products.

What are the main uses of (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (CAS: 87333-19-5)?

The compound is primarily studied in research settings for its potential pharmacological properties, particularly in the development of new drugs. Due to its complex structure, it may be used as an intermediate in the synthesis of other bioactive compounds. Its applications are largely limited to laboratory research and drug discovery due to lack of widespread commercial use.

Is (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (CAS: 87333-19-5) safe?

Safety data for this compound is limited, but as with many complex organic molecules, it may pose potential risks if mishandled. Proper protective equipment, such as gloves and goggles, should be used during handling. It is important to follow standard laboratory safety protocols and consult safety data sheets (SDS) for detailed information on toxicity and exposure limits.

How should (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (CAS: 87333-19-5) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at temperatures below 25°C. It should be kept in a sealed container to prevent moisture absorption and contamination. Avoid exposure to air and light to maintain stability and prolong shelf life.