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Captopril EP Impurity E

CAT: 0804-HY-137772Size: 1 EachDry Ice: NoHazardous: No
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Description
Captopril EP Impurity E is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM) [1][2][3].
CAS Number
23500-15-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/captopril-ep-impurity-e.html
Solubility
10 mM in DMSO
Smiles
O=C(O)[C@H]1N(C(C(C)C)=O)CCC1
Molecular Formula
C9H15NO3
Molecular Weight
185.22
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]ANCA GABRIELA CÂRJE, et al. HPLC-UV METHOD APPROACH FOR THE ANALYSIS AND IMPURITY PROFILING OF CAPTOPRIL.|[2]Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64 (11) :2263-2268.|[3]Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Isobutyrylproline
CAS Number23500-15-4
PubChem CID15324300
IUPAC Name(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
Molecular FormulaC9H15NO3
Molecular Weight185.22
XLogP0.6
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity225
SMILES
CC(C)C(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKey
WKQUFVTUGGLNNO-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Isobutyrylproline
CAS: 23500-15-4
CID: 15324300
Formula: C9H15NO3
MW: 185.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.22
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass185.10519334
Monoisotopic Mass185.10519334
Topological Polar Surface Area57.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-C01290-01Captopril EP Impurity A (Captopril Disulfide)
RM-C161831-01Captopril Impurity 5
RM-C161843-01Captopril Impurity 43
RM-C161835-01Captopril Impurity 35
RM-C161844-01Captopril Impurity 44
RM-C161840-01Captopril Impurity 40
RM-C161833-01Captopril Impurity 33
RM-C161832-01Captopril Impurity 32
AR-C06009-01Captopril Impurity 1
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