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80629-35-2

80629-35-2 Structure

80629-35-2 Structure
IdentificationBack Directory
[Name]

1-[(2S)-3-BroMo-2-Methyl-1-oxopropyl]-L-proline
[CAS]

80629-35-2
[Synonyms]

captopril-ep-imp-B
Captopril impurity B
Captopril impurity B CRS
(2S)-1-[(2S)-3-Bromo-2-methylpropan
((S)-3-bromo-2-methylpropanoyl)-L-proline
Captopril Impurity 2(Captopril EP Impurity B)
1-[(2S)-3-BroMo-2-Methyl-1-oxopropyl]-L-proline
L-Proline, 1-[(2S)-3-bromo-2-methyl-1-oxopropyl]-
L-Proline, 1-(3-bromo-2-methyl-1-oxopropyl)-, (S)-
1-(3-bromo-2S-methylpropionyl)-pyrrolidine-2S-carboxylic acid
(S)-1-((S)-3-bromo-2-methylpropanoyl)pyrrolidine-2-carboxylic acid
(2S)-1-[(2S)-3-Bromo-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Imp. B (EP):(2S)-1-[(2S)-3-Bromo-2-methylpropanoyl]pyrrolidine-2-carboxylic Acid
[Molecular Formula]

C9H14BrNO3
[MDL Number]

MFCD27966950
[MOL File]

80629-35-2.mol
[Molecular Weight]

264.12
Chemical PropertiesBack Directory
[Melting point ]

110-114℃
[Boiling point ]

425.1±40.0 °C(Predicted)
[density ]

1.555±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

neat
[pka]

3.52±0.20(Predicted)
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C9H14BrNO3/c1-6(5-10)8(12)11-4-2-3-7(11)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
[InChIKey]

SJYSAVFKJLHJHP-RQJHMYQMSA-N
[SMILES]

BrC[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)O
Hazard InformationBack Directory
[Uses]

1-[(2S)-3-Bromo-2-methyl-1-oxopropyl]-L-proline is an intermediate in the synthetic preparation of Captopril (C175750), a orally active angiotensin-converting enzyme (ACE) inhibitor.
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