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CGP 71683 hydrochloride

CAT: 0024-sc-203881BSize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-203881BSize:1 g
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CAS Number
192322-50-2

Chemical Information

Cgp71683A

selective NPY Y(5) receptor antagonist; structure in first source

CAS Number192322-50-2
PubChem CID9849276
IUPAC NameN-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochloride
Molecular FormulaC26H30ClN5O2S
Molecular Weight512.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity751
SMILES
C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl
InChI
InChI=1S/C26H29N5O2S.ClH/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24;/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31);1H
InChIKey
DIQDKUNCSVFGHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgp71683A
CAS: 192322-50-2
CID: 9849276
Formula: C26H30ClN5O2S
MW: 512.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass511.1808741
Monoisotopic Mass511.1808741
Topological Polar Surface Area118 Ų
Heavy Atom Count35
Formal Charge0
Complexity751
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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