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(S)-Lisinopril-[d5] Sodium

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General Information
Catalog: BLP-000755
CAS: 1356847-28-3
Molecular Formula: C21H26D5N3NaO5
Molecular Weight: 433.50

Chemical Structure

Description	(S)-Lisinopril-[d5] Sodium is the labelled salt of Lisinopril. Lisinopril is an angiotensin-converting enzyme inhibitor, used in treatment of hypertension, congestive heart failure, and heart attacks.
Synonyms	(S)-Lisinopril-d5 Sodium; (S)-1-[N2-(1-Carboxy-3-phenylpropyl)-L-lysyl]-L-proline-d5 Sodium
IUPAC Name	(2R)-1-[(2S)-6-amino-2-[[(1R)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid,sodium
Related CAS	76547-98-3 (unlabelled free acid)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)O)[2H])[2H].[Na]
Canonical SMILES	C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.[Na]
InChI	InChI=1S/C21H31N3O5.Na/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);/t16-,17+,18+;/m0./s1/i1D,2D,3D,7D,8D;
InChI Key	YIQJJOKNXHVFQD-DKOLOHLOSA-N
Melting Point	169-172 °C
Purity	95%; > 98% atom D
Solubility	Slightly soluble in Methanol
Appearance	White to Pale Yellow Solid
Storage	-20 °C under inert atmosphere