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LY272015

CAT: 0931-T202880-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202880-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159730-07-1
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
LY272015 is a 5-HT2BR antagonist.
Smiles
O(C1=CC=C(C=C1OC)CC2NCCC=3C=4C=C(C=CC4NC32)C)C
Molecular Formula
C21H24N2O2
Molecular Weight
336.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6W6Aeg3W3E
CAS Number159730-07-1
PubChem CID9929424
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular FormulaC21H24N2O2
Molecular Weight336.4
XLogP3.8
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity446
SMILES
CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C21H24N2O2/c1-13-4-6-17-16(10-13)15-8-9-22-18(21(15)23-17)11-14-5-7-19(24-2)20(12-14)25-3/h4-7,10,12,18,22-23H,8-9,11H2,1-3H3
InChIKey
GDAJGLDMCDMPIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6W6Aeg3W3E
CAS: 159730-07-1
CID: 9929424
Formula: C21H24N2O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass336.183778013
Monoisotopic Mass336.183778013
Topological Polar Surface Area46.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19241650-01LY272015

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