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Benazepril-d5

CAT: 0024-sc-217708Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-217708Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279200-03-1

Chemical Information

Benazepril-d5
CAS Number1279200-03-1
PubChem CID71313620
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
Molecular FormulaC24H28N2O5
Molecular Weight429.5
XLogP1.3
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count31
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]
InChI
InChI=1S/C24H28N2O5/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)/t19-,20-/m0/s1/i3D,4D,5D,8D,9D
InChIKey
XPCFTKFZXHTYIP-DPINEGQSSA-N
Chemical Structure
2D Structure
2D structure of Benazepril-d5
CAS: 1279200-03-1
CID: 71313620
Formula: C24H28N2O5
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass429.23120573
Monoisotopic Mass429.23120573
Topological Polar Surface Area95.9 Ų
Heavy Atom Count31
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 Count1
Compound Is CanonicalizedYes

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CS-O-43274N-Nitroso Benazepril D5
AR-B06186-01N-Nitroso Benazepril-d5
RM-B021415-01Benazeprilat-D5 (Benazepril EP Impurity C-D5)
B1035-03Benazepril-d5 Acyl-b-D-glucuronide
464574-01Rel- (1S,3R) -Benazepril-d5 Hydrochloride
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