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Benazepril-d5 HCl

CAT: 0931-TMIJ-0253-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0253-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279026-26-4
Target
Apoptosis, Angiotensin-converting Enzyme (ACE), Reactive Oxygen Species, Akt
Related Pathways
Immunology/Inflammation, PI3K/Akt/mTOR signaling, NF-κB, Cytoskeletal Signaling, Apoptosis, Metabolism
Bioactivity
Benazepril-d5 HCl is a deuterated compound of Benazepril HCl. Benazepril HCl has a CAS number of 86541-74-4. Benazepril is an angiotensin-converting enzyme (ACE) inhibitor widely used in the therapy of hypertension. Benazepril is associated with a low rate of transient serum aminotransferase elevations and has been linked to rare instances of acute liver injury.
Smiles
C(C(O)=O)N1C([C@H](CCC2=CC=CC=C12)N[C@@H](CCC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])C(=O)OCC)=O.Cl
Molecular Formula
C24H24D5ClN2O5
Molecular Weight
465.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benazepril-d5 Hydrochloride
CAS Number1279026-26-4
PubChem CID76973147
IUPAC Name2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride
Molecular FormulaC24H29ClN2O5
Molecular Weight466.0
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity619
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O)[2H])[2H].Cl
InChI
InChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1/i3D,4D,5D,8D,9D;
InChIKey
VPSRQEHTHIMDQM-KFAZQMGHSA-N
Chemical Structure
2D Structure
2D structure of Benazepril-d5 Hydrochloride
CAS: 1279026-26-4
CID: 76973147
Formula: C24H29ClN2O5
MW: 466.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight466.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass465.2078835
Monoisotopic Mass465.2078835
Topological Polar Surface Area95.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity619
Isotope Atom Count5
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes