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PSB-SB-487

CAT: 0931-T8975-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8975-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1399049-81-0
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein
Purity
0.9878
Bioactivity
PSB-SB-487 is antagonist of GPR55.
Smiles
OC1=C2C(=CC(C(CCCCCCC)(C)C)=C1)OC(=O)C(CC3=C(O)C=CC=C3)=C2
Molecular Formula
C26H32O4
Molecular Weight
408.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Psb-SB-487
CAS Number1399049-81-0
PubChem CID70678101
IUPAC Name5-hydroxy-3-[(2-hydroxyphenyl)methyl]-7-(2-methylnonan-2-yl)chromen-2-one
Molecular FormulaC26H32O4
Molecular Weight408.5
XLogP8.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity596
SMILES
CCCCCCCC(C)(C)C1=CC(=C2C=C(C(=O)OC2=C1)CC3=CC=CC=C3O)O
InChI
InChI=1S/C26H32O4/c1-4-5-6-7-10-13-26(2,3)20-16-23(28)21-15-19(25(29)30-24(21)17-20)14-18-11-8-9-12-22(18)27/h8-9,11-12,15-17,27-28H,4-7,10,13-14H2,1-3H3
InChIKey
YNWOMOUVWNKICO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Psb-SB-487
CAS: 1399049-81-0
CID: 70678101
Formula: C26H32O4
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass408.23005950
Monoisotopic Mass408.23005950
Topological Polar Surface Area66.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity596
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

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