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LY 266097 hydrochloride

CAT: 0607-B7583-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7583-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-HT2B receptor antagonist
CAS Number
172895-39-5
Product Name Alternative
(R)-1-(2-chloro-3,4-dimethoxybenzyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
Field of Research
GPCR G protein 5-HT Receptor
Purity
0.98
Solubility
Soluble in DMSO
Smiles
ClC(C(C[C@H]1NCCC2=C1NC3=CC=C(C)C=C23)=CC=C4OC)=C4OC.Cl
Molecular Formula
C21H23ClN2O2·HCl
Molecular Weight
407.33
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

LY 266097 hydrochloride
CAS Number172895-39-5
PubChem CID9953184
IUPAC Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.3
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity479
SMILES
CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)OC)OC)Cl.Cl
InChI
InChI=1S/C21H23ClN2O2.ClH/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22;/h4-7,10,17,23-24H,8-9,11H2,1-3H3;1H
InChIKey
KPXKZZURYAXZQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY 266097 hydrochloride
CAS: 172895-39-5
CID: 9953184
Formula: C21H24Cl2N2O2
MW: 407.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass406.1214834
Monoisotopic Mass406.1214834
Topological Polar Surface Area46.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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