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Captopril-[d3]

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General Information
Catalog: BLP-011827
CAS: 1356383-38-4
Molecular Formula: C9H12D3NO3S
Molecular Weight: 220.31

Chemical Structure

Description	Captopril-[d3] is the labelled analogue of Captopril, which is an angiotensin-converting enzyme (ACE) inhibitor used for the treatment of hypertension.
Synonyms	Captopril-d3; (2S)-1-(3-Marcapto-2-methyl-1-oxopionyl]-L-proline-2,5,5-d3; SQ-14225-d3
IUPAC Name	(2S)-2,5,5-trideuterio-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Related CAS	62571-86-2 (unlabelled)
Isomeric SMILES	[2H][C@]1(CCC(N1C(=O)[C@H](C)CS)([2H])[2H])C(=O)O
Canonical SMILES	CC(CS)C(=O)N1CCCC1C(=O)O
InChI	InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1/i4D2,7D
InChI Key	FAKRSMQSSFJEIM-SIHDFBQLSA-N
Melting Point	100-105°C
Purity	≥95% by HPLC; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere