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Olmesartan-d6

CAT: 0804-HY-17004S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17004S1Size:1 mg
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Description
Olmesartan-d6 (RNH-6270-d6) is the deuterium labeled Olmesartan. Olmesartan (RNH-6270) is an angiotensin II receptor (AT1R) antagonist used to treat high blood pressure[1][2].
CAS Number
1185144-74-4
Product Name Alternative
RNH-6270-d6
UNSPSC
12352005
Target
Angiotensin Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Others
Field of Research
Cardiovascular Disease
Purity
99.26
Solubility
DMSO : 20.83 mg/mL (ultrasonic; warming)
Smiles
OC(C(N1CC2=CC=C(C3=C(C4=NN=NN4)C=CC=C3)C=C2)=C(N=C1CCC)C(C([2H])([2H])[2H])(O)C([2H])([2H])[2H])=O
Molecular Formula
C24H20D6N6O3
Molecular Weight
452.54
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Bakhtiari E, et al. Synergistic, cytotoxic and apoptotic activities of olmesartan with NF-κB inhibitor against HeLa human cell line. Toxicol Mech Methods. 2015;25 (8) :614-21.|[3]Tanno T, et al. Olmesartan Inhibits Cardiac Hypertrophy in Mice Overexpressing Renin Independently of Blood Pressure: Its Beneficial Effects on ACE2/Ang (1-7) /Mas Axis and NADPH Oxidase Expression. J Cardiovasc Pharmacol. 2016 Jun;67 (6) :503-9.|[4]Yanagihara H, et al. Effects of telmisartan and olmesartan on insulin sensitivity and renal function in spontaneously hypertensive rats fed a high fat diet. J Pharmacol Sci. 2016 Jul;131 (3) :190-7.
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
Isoform
AT1 Receptor

Chemical Information

Olmesartan-d6 Acid
CAS Number1185144-74-4
PubChem CID45040153
IUPAC Name5-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular FormulaC24H26N6O3
Molecular Weight452.5
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]C([2H])([2H])C(C1=C(N(C(=N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)(C([2H])([2H])[2H])O
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)/i2D3,3D3
InChIKey
VTRAEEWXHOVJFV-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Olmesartan-d6 Acid
CAS: 1185144-74-4
CID: 45040153
Formula: C24H26N6O3
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass452.24429919
Monoisotopic Mass452.24429919
Topological Polar Surface Area130 Ų
Heavy Atom Count33
Formal Charge0
Complexity656
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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