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Vericiguat 25mg

CAT: 0628-A21031-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21031-25Size:25 mg
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CAS Number
1350653-20-1

Chemical Information

Vericiguat

Vericiguat is a pyrazolopyridine that is 5-fluoro-1H-pyrazolo[3,4-b]pyridine in which the amino hydrogen at position 1 has been substituted by a 2-fluorobenzyl group and the hydrogen at position 3 has been substituted by a 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl group. It is a soluble guanylate cyclase stimulator which is used for treatment of chronic heart failure. It has a role as a vasodilator agent, an antihypertensive agent and a soluble guanylate cyclase activator. It is a carbamate ester, an organofluorine compound, an aminopyrimidine and a pyrazolopyridine.

CAS Number1350653-20-1
PubChem CID54674461
IUPAC Namemethyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
Molecular FormulaC19H16F2N8O2
Molecular Weight426.4
XLogP1.5
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity622
SMILES
COC(=O)NC1=C(N=C(N=C1N)C2=NN(C3=C2C=C(C=N3)F)CC4=CC=CC=C4F)N
InChI
InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)
InChIKey
QZFHIXARHDBPBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vericiguat
CAS: 1350653-20-1
CID: 54674461
Formula: C19H16F2N8O2
MW: 426.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.4
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass426.13642811
Monoisotopic Mass426.13642811
Topological Polar Surface Area147 Ų
Heavy Atom Count31
Formal Charge0
Complexity622
Isotope Atom Count0
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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