N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine

HCID 5702571CAS 82717-96-2

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Grundinformationen

Standard-SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O
InChIKey: CEIWXEQZZZHLDM-AAEUAGOBSA-N
Summenformel: C15H21NO4
Durchschnittliche Molmasse: 279,33 g/mol
Monoisotopische Masse: 279,14705815

Namen und Bezeichner

Bevorzugter Name: N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine
IUPAC: (2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Namen und Synonyme

82717-96-2N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanineN-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanineUNII-10SZ4IJ77B10SZ4IJ77BN-[1(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanineRAMIPRIL IMPURITY F [EP IMPURITY](2S)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoic acidBenzenebutanoic acid, alpha-((1-carboxyethyl)amino)-, monoethyl ester, (S-(theta,theta))-ENALAPRIL MALEATE IMPURITY B [EP IMPURITY]ENALAPRILAT DIHYDRATE IMPURITY F [EP IMPURITY]QUINAPRIL HYDROCHLORIDE IMPURITY B [EP IMPURITY]

Weitere Namen anzeigen

N-((S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINESPIRAPRIL HYDROCHLORIDE MONOHYDRATE IMPURITY C [EP IMPURITY](2S)-2-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}propanoic acidBENZENEBUTANOIC ACID, .ALPHA.-(((1S)-1-CARBOXYETHYL)AMINO)-, 1-ETHYL ESTER, (.ALPHA.S)-RAMIPRIL IMPURITY F (EP IMPURITY)ENALAPRIL MALEATE IMPURITY B (EP IMPURITY)ENALAPRILAT DIHYDRATE IMPURITY F (EP IMPURITY)QUINAPRIL HYDROCHLORIDE IMPURITY B (EP IMPURITY)

Datenbank-Bezeichner

CAS: 82717-96-2
PubChem CID: 5702571
DTXSID: DTXSID901235536
UNII: 10SZ4IJ77B
EC Number: 406-310-6、617-383-0
Nikkaji: J486.330E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 9
Schwere Atome: 20
Formalladung: 0
Komplexität: 313

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 44.8% (39 of 87) of reports.

Warning

H315 (54%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.