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Arvanil

CAT: 0127-BUP20481-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20481-01Size:5 mg
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CAS Number
439861-56-0
Synonyms
N-Vanillylarachidonamide
Purity
=98%
Smiles
CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12

Chemical Information

Npy5RA-972

an NPY5 antagonist for treatment of obesity; structure in first source

CAS Number439861-56-0
PubChem CID9884833
IUPAC NameN-(4-methyl-9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide
Molecular FormulaC21H25N3O2
Molecular Weight351.4
XLogP3.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity505
SMILES
CC1=C(C=CC2=C1C3=CC=CC=C3N2C(C)C)NC(=O)N4CCOCC4
InChI
InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKey
ZNFMHLDBJPAFEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Npy5RA-972
CAS: 439861-56-0
CID: 9884833
Formula: C21H25N3O2
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass351.19467705
Monoisotopic Mass351.19467705
Topological Polar Surface Area46.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity505
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