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Leteprinim Potassium Salt

CAT: 0024-sc-211732Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-211732Size:10 mg
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CAS Number
192564-13-9

Chemical Information

Leteprinim Potassium

See also: Leteprinim (has active moiety).

CAS Number192564-13-9
PubChem CID135413527
IUPAC Namepotassium 4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzoate
Molecular FormulaC15H12KN5O4
Molecular Weight365.38
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity550
SMILES
C1=CC(=CC=C1C(=O)[O-])NC(=O)CCN2C=NC3=C2N=CNC3=O.[K+]
InChI
InChI=1S/C15H13N5O4.K/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22;/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22);/q;+1/p-1
InChIKey
MICLTPPSCUXHJT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Leteprinim Potassium
CAS: 192564-13-9
CID: 135413527
Formula: C15H12KN5O4
MW: 365.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.38
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass365.05263537
Monoisotopic Mass365.05263537
Topological Polar Surface Area129 Ų
Heavy Atom Count25
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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