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Perindopril-d4 (erbumine)

CAT: 0804-HY-B0130S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0130S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Perindopril-d4 t-butylamine salt is the deuterium labeled Perindopril t-butylamine salt. Perindopril t-butylamine salt is a long-acting ACE inhibitor of which is used to treat high blood pressure, heart failure or stable coronary artery disease[1][2].
CAS Number
1356929-59-3
UNSPSC
12352005
Target
Angiotensin-converting Enzyme (ACE) ; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer; Cardiovascular Disease
Solubility
10 mM in DMSO
Smiles
CC(C)(N)C.CCOC([C@H](CCC)N[C@](C([2H])([2H])[2H])([2H])C(N1[C@]2([H])[C@](CCCC2)([H])C[C@H]1C(O)=O)=O)=O
Molecular Formula
C23H39D4N3O5
Molecular Weight
445.63
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Vaclavik J, Perindopril in the treatment of hypertension and cardiovascular diseases: evolution continues with the orodispersible dosage form. Vnitr Lek. 2013 Apr;59 (4) :290-4.|[3]Napalkov DA. Therapy with perindopril: organoprotection, not just the antihypertensive effect. Kardiologiia. 2012;52 (12) :80-3.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Perindopril-d4 t-Butylamine Salt
CAS Number1356929-59-3
PubChem CID45040205
IUPAC Name(2S,3aS,7aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine
Molecular FormulaC23H43N3O5
Molecular Weight445.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity549
SMILES
[2H][C@@](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)(C([2H])([2H])[2H])N[C@@H](CCC)C(=O)OCC.CC(C)(C)N
InChI
InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1/i3D3,12D;
InChIKey
IYNMDWMQHSMDDE-LJPFWORXSA-N
Chemical Structure
2D Structure
2D structure of Perindopril-d4 t-Butylamine Salt
CAS: 1356929-59-3
CID: 45040205
Formula: C23H43N3O5
MW: 445.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass445.34537846
Monoisotopic Mass445.34537846
Topological Polar Surface Area122 Ų
Heavy Atom Count31
Formal Charge0
Complexity549
Isotope Atom Count4
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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AR-P30966-01Perindopril-d4 Erbumine
MBS6063121-01Perindopril-d4 t-Butylamine Salt (Perindopril erbumine-d4)
318472Perindopril Erbumine
CS-O-45673N-Nitroso Perindopril Erbumine D4
MBS385907-01Perindopril Erbumine (Aceon)
P3341-50BPerindopril t-Butylamine Salt (Perindopril erbumine)
A10710-100Perindopril Erbumine (Aceon) 100mg

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