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LY-393615 free base

CAT: 0931-T33016-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33016-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
774528-12-0
Target
Calcium Channel, Others, Sodium Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel, Others
Bioactivity
LY-393615 free base is a bioactive chemical.
Smiles
FC1=CC=C(C=C1)C2(OC(CNCCCC)CC2)C3=CC=C(F)C=C3
Molecular Formula
C21H25F2NO
Molecular Weight
345.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LY-393615 free base
CAS Number774528-12-0
PubChem CID9821303
IUPAC NameN-[[5,5-bis(4-fluorophenyl)oxolan-2-yl]methyl]butan-1-amine
Molecular FormulaC21H25F2NO
Molecular Weight345.4
XLogP4.7
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity367
SMILES
CCCCNCC1CCC(O1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H25F2NO/c1-2-3-14-24-15-20-12-13-21(25-20,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,20,24H,2-3,12-15H2,1H3
InChIKey
UEIJJWIYTDBDNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY-393615 free base
CAS: 774528-12-0
CID: 9821303
Formula: C21H25F2NO
MW: 345.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass345.19042075
Monoisotopic Mass345.19042075
Topological Polar Surface Area21.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity367
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

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