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Zibotentan 10mg

CAT: 0628-A11006-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11006-10Size:10 mg
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CAS Number
186497-07-4

Chemical Information

Zibotentan

Zibotentan is a member of the class of pyridinesulfonamides that is benzene substituted by 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]pyridin-2-yl and 1,3,4-oxadiazol-2-yl groups at positions 1 and 4, respectively. It is an endothelin A receptor antagonist with potential antineoplastic activity. It has a role as an antineoplastic agent, an antihypertensive agent and an endothelin A receptor antagonist. It is a member of benzenes, an aromatic ether, a phenylpyridine, a member of pyrazines, a member of 1,3,4-oxadiazoles and a pyridinesulfonamide.

CAS Number186497-07-4
PubChem CID9910224
IUPAC NameN-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
Molecular FormulaC19H16N6O4S
Molecular Weight424.4
XLogP1.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity654
SMILES
CC1=CN=C(C(=N1)OC)NS(=O)(=O)C2=C(N=CC=C2)C3=CC=C(C=C3)C4=NN=CO4
InChI
InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
InChIKey
FJHHZXWJVIEFGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zibotentan
CAS: 186497-07-4
CID: 9910224
Formula: C19H16N6O4S
MW: 424.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass424.09537419
Monoisotopic Mass424.09537419
Topological Polar Surface Area141 Ų
Heavy Atom Count30
Formal Charge0
Complexity654
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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