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URB602

CAT: 0127-BUP13886-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13886-03Size:100 mg
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CAS Number
565460-15-3
Purity
=98%
Smiles
O=C(Nc1cccc(c1)-c1ccccc1)OC1CCCCC1

Chemical Information

Urb602

inhibitor of 2-arachidonoylglycerol (2-AG)-deactivating enzyme, monoacylglycerol lipase, structure in first source

CAS Number565460-15-3
PubChem CID10979337
IUPAC Namecyclohexyl N-(3-phenylphenyl)carbamate
Molecular FormulaC19H21NO2
Molecular Weight295.4
XLogP4.9
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity345
SMILES
C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
InChIKey
HHVUFQYJOSFTEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Urb602
CAS: 565460-15-3
CID: 10979337
Formula: C19H21NO2
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass295.157228913
Monoisotopic Mass295.157228913
Topological Polar Surface Area38.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity345
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