PD 113413 | Quinapril Metabolie | CAS#103733-50-2

MedKoo Cat#: 525819 | Name: PD 113413

Description:

WARNING: This product is for research use only, not for human or veterinary use.

PD 113413 is a metabolite of quinapril. Quinapril is an angiotensin-converting enzyme inhibitor used in the treatment of hypertension and congestive heart failure.

Chemical Structure

PD 113413

CAS#103733-50-2

Theoretical Analysis

MedKoo Cat#: 525819

Name: PD 113413

CAS#: 103733-50-2

Chemical Formula: C23H24N2O4

Exact Mass: 392.1736

Molecular Weight: 392.45

Elemental Analysis: C, 70.39; H, 6.16; N, 7.14; O, 16.31

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

PD-113413; PD113413; PD 113413

IUPAC/Chemical Name

(S)-2-((3S,11aS)-3-methyl-1,4-dioxo-3,4,11,11a-tetrahydro-1H-pyrazino[1,2-b]isoquinolin-2(6H)-yl)-4-phenylbutanoic acid

InChi Key

VXPDBIKOLFNDKU-YSSFQJQWSA-N

InChi Code

InChI=1S/C23H24N2O4/c1-15-21(26)24-14-18-10-6-5-9-17(18)13-20(24)22(27)25(15)19(23(28)29)12-11-16-7-3-2-4-8-16/h2-10,15,19-20H,11-14H2,1H3,(H,28,29)/t15-,19-,20-/m0/s1

SMILES Code

(2S)-2-[(3S,11aS)-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoic acid

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 392.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Goto N, Sato T, Shigetoshi M, Ikegami K. Determination of dioxopiperazine metabolites of quinapril in biological fluids by gas chromatography-mass spectrometry. J Chromatogr. 1992 Jul 24;578(2):203-6. PubMed PMID: 1400798. 2: Kugler AR, Olson SC, Smith DE. Determination of quinapril and quinaprilat by high-performance liquid chromatography with radiochemical detection, coupled to liquid scintillation counting spectrometry. J Chromatogr B Biomed Appl. 1995 Apr 21;666(2):360-7. PubMed PMID: 7633615.