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Revaprazan Hydrochloride 25mg

CAT: 0628-A17506-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A17506-25Size:25 mg
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CAS Number
178307-42-1

Chemical Information

Revaprazan Hydrochloride

Revaprazan Hydrochloride is the hydrochloride salt form of a lipophilic, weak base with potassium-competitive acid blocking (P-CAB) activity. Revaprazan concentrates highly in the gastric parietal cell canaliculus and on entering this acidic environment is instantly protonated and binds competitively and reversibly to the potassium binding site of the proton pump hydrogen-potassium adenosine triphosphatase (H+/K+ ATPase), thereby inhibiting the pump's activity and the parietal cell secretion of H+ ions into the gastric lumen, the final step in gastric acid production.

CAS Number178307-42-1
PubChem CID204103
IUPAC NameN-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
Molecular FormulaC22H24ClFN4
Molecular Weight398.9
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity481
SMILES
CC1C2=CC=CC=C2CCN1C3=NC(=NC(=C3C)C)NC4=CC=C(C=C4)F.Cl
InChI
InChI=1S/C22H23FN4.ClH/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3;/h4-11,16H,12-13H2,1-3H3,(H,24,25,26);1H
InChIKey
MALPZYQJEDBIAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Revaprazan Hydrochloride
CAS: 178307-42-1
CID: 204103
Formula: C22H24ClFN4
MW: 398.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass398.1673526
Monoisotopic Mass398.1673526
Topological Polar Surface Area41.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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