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Perindoprilat-[13C3]

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General Information
Catalog: BLP-001200
CAS: 327048-87-3
Molecular Formula: C14[13C]3H28N2O5
Molecular Weight: 343.41

Chemical Structure

Description	Perindoprilat-[13C3] is the labelled analogue of Perindoprilat. Perindoprilat, the active metabolite of perindopril, is a non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitor in vitro with IC50 values ranging between 1.5 and 3.2 nM.
Synonyms	[13C3]-Perindoprilat; [2S-[1[R(R)],2α,3aβ,7aβ]]-1-[2-[(1-Carboxybutyl)amino]-1-oxopropyl-13C3]octahydro-1H-indole-2-carboxylic Acid; S9780-13C3; Perindopril Related Compound B USP-13C3; Perindoprilat-13C3
IUPAC Name	(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-Carboxybutyl]amino]-1-oxopropyl-13C3]octahydro-1H-indole-2-carboxylic Acid
Related CAS	95153-31-4 (unlabelled)
Isomeric SMILES	CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=[13CH][13C](=O)[13CH2]C[C@]34C)C
Canonical SMILES	CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChI	InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i8+1,12+1,15+1
InChI Key	RJKFOVLPORLFTN-TZDZRSEPSA-N
Melting Point	136-138 °C
Purity	98% by CP; 99% atom 13C
Solubility	Slightly soluble in Methanol
Appearance	White Solid
Storage	2-8 °C under inert atmosphere