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Olmesartan-d4

CAT: 0804-HY-17004S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17004S-01Size:1 mg
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Description
Olmesartan-d4 (RNH-6270-d4) is the deuterium labeled Olmesartan. Olmesartan is an angiotensin II receptor (AT1R) antagonist used to treat high blood pressure.
CAS Number
1420880-41-6
Product Name Alternative
RNH-6270-d4
UNSPSC
12352005
Target
Angiotensin Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Purity
99.82
Solubility
10 mM in DMSO|DMSO : 20.83mg/mL (ultrasonic)
Smiles
OC(C(N1CC2=C([2H])C([2H])=C(C3=C(C4=NN=NN4)C=CC=C3)C([2H])=C2[2H])=C(N=C1CCC)C(C)(O)C)=O
Molecular Formula
C24H22D4N6O3
Molecular Weight
450.53
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
AT1 Receptor

Chemical Information

Olmesartan D4
CAS Number1420880-41-6
PubChem CID71479812
IUPAC Name5-(2-hydroxypropan-2-yl)-2-propyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular FormulaC24H26N6O3
Molecular Weight450.5
XLogP3.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity656
SMILES
[2H]C1=C(C(=C(C(=C1CN2C(=NC(=C2C(=O)O)C(C)(C)O)CCC)[2H])[2H])C3=CC=CC=C3C4=NNN=N4)[2H]
InChI
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)/i10D,11D,12D,13D
InChIKey
VTRAEEWXHOVJFV-ZGAVCIBUSA-N
Chemical Structure
2D Structure
2D structure of Olmesartan D4
CAS: 1420880-41-6
CID: 71479812
Formula: C24H26N6O3
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass450.23174570
Monoisotopic Mass450.23174570
Topological Polar Surface Area130 Ų
Heavy Atom Count33
Formal Charge0
Complexity656
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes