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Ramipril diketopiperazine

CAT: 0804-HY-Z8381-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z8381-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ramipril diketopiperazine is an impurity in the ACE inhibitor Ramipril.
CAS Number
108731-95-9
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
Angiotensin-converting Enzyme (ACE)
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer; Cardiovascular Disease
Smiles
O=C1N2[C@](C[C@@]3([H])[C@]2([H])CCC3)([H])C(N([C@H]1C)[C@H](C(OCC)=O)CCC4=CC=CC=C4)=O
Molecular Formula
C23H30N2O4
Molecular Weight
398.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
References & Citations
[1]Orlandini S, et al. Development of a capillary electrophoresis method for the assay of ramipril and its impurities: an issue of cis-trans isomerization. J Chromatogr A. 2011 May 6;1218 (18) :2611-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ramipril diketopiperazine
CAS Number108731-95-9
PubChem CID14520363
IUPAC Nameethyl (2S)-2-[(2S,6S,8S,11S)-11-methyl-9,12-dioxo-1,10-diazatricyclo[6.4.0.02,6]dodecan-10-yl]-4-phenylbutanoate
Molecular FormulaC23H30N2O4
Molecular Weight398.5
XLogP3.4
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)N3[C@H]4CCC[C@H]4C[C@H]3C2=O)C
InChI
InChI=1S/C23H30N2O4/c1-3-29-23(28)19(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-18-11-7-10-17(18)14-20(25)22(24)27/h4-6,8-9,15,17-20H,3,7,10-14H2,1-2H3/t15-,17-,18-,19-,20-/m0/s1
InChIKey
KOVMAAYRBJCASY-JBDAPHQKSA-N
Chemical Structure
2D Structure
2D structure of Ramipril diketopiperazine
CAS: 108731-95-9
CID: 14520363
Formula: C23H30N2O4
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass398.22055744
Monoisotopic Mass398.22055744
Topological Polar Surface Area66.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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