1-[(S)-3-(Acetylthio)isobutyryl]-L-proline1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline

Name	(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline
Synonyms	Acetylcaptopril Captopril EP Impurity J D-(S)-3-Acetylthio-2-Methyl-L-proline N-(3-ACETYLTHIO-2-D-METHYLPROPIONIL)-L-PROLINE 1-[3-(acetylsulfanyl)-2-methylpropanoyl]proline 1-[3-(acetylsulfanyl)-2-methylpropanoyl]-L-proline N-[3-(ACETYLTHIO)-(2S)-METHYL-1-OXOPROPYL]-L-PROLINE (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline 1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline 1-[(2S)-3-(Acetylsulfanyl)-2-methylpropanoyl]-L-proline L-proline, 1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]- N-[3-(ACETYLTHIO)-(2S)-METHYL-1-OXOPROPYL]-L-PROLINE HYDRATE (2S)-1-[(2S)-3-(acetylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylate (2S)-1-[(2S)-3-(Acetylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid 1-[(S)-3-(Acetylthio)isobutyryl]-L-proline1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline
CAS	64838-55-7
EINECS	265-250-7
InChI	InChI=1/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7?,9-/m0/s1

Molecular Formula	C11H17NO4S
Molar Mass	259.32
Density	1.291±0.06 g/cm3(Predicted)
Melting Point	76-82°C(lit.)
Boling Point	464.8±40.0 °C(Predicted)
Specific Rotation(α)	-158 º (c=1, MeOH)
Flash Point	234.881°C
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	0mmHg at 25°C
Appearance	neat
Color	White
pKa	3.56±0.20(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	-160 ° (C=1, MeOH)
Use	Used as a pharmaceutical Intermediate

Hazard Symbols	Xi - Irritant
Risk Codes	36 - Irritating to the eyes
Safety Description	S24/25 - Avoid contact with skin and eyes. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3

biological activity	Captopril EP impure J is an Impurity of Captopril. Captopyl is a thiol-containing orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μm).
Use	for pharmaceutical intermediates

Last Update：2024-04-09 21:04:16

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