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Enalaprilat-d5

CAT: 0804-HY-B0231AS-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0231AS-01Size:1 mg
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Description
Enalaprilat-d5 is the deuterium labeled Enalaprilat (MK-422), which is an angiotensin-converting enzyme (ACE) inhibitor.
CAS Number
349554-00-3
Product Name Alternative
MK-422 D5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Angiotensin-converting Enzyme (ACE)
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Purity
99.47
Solubility
DMSO : 100mg/mL (ultrasonic)
Smiles
C[C@@H](C(N1CCC[C@H]1C(O)=O)=O)N[C@H](C(O)=O)CCC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H]
Molecular Formula
C18H19D5N2O5
Molecular Weight
353.42
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Enalaprilat-D5 (phenyl-D5)
CAS Number349554-00-3
PubChem CID45039130
IUPAC Name(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC18H24N2O5
Molecular Weight353.4
XLogP-0.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity490
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)[2H])[2H]
InChI
InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1/i2D,3D,4D,6D,7D
InChIKey
LZFZMUMEGBBDTC-HJJZLVALSA-N
Chemical Structure
2D Structure
2D structure of Enalaprilat-D5 (phenyl-D5)
CAS: 349554-00-3
CID: 45039130
Formula: C18H24N2O5
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass353.19990560
Monoisotopic Mass353.19990560
Topological Polar Surface Area107 Ų
Heavy Atom Count25
Formal Charge0
Complexity490
Isotope Atom Count5
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes