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BDF 9148

CAT: 0931-T26757-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26757-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120838-62-2
Target
Sodium Channel, Others
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
BDF 9148, a Na (+) -channel modulator, increases the contractile force of guinea-pig atria and papillary muscles.
Smiles
C(N1CC(OCC(COC2=C3C(NC(C#N)=C3)=CC=C2)O)C1)(C4=CC=CC=C4)C5=CC=CC=C5
Molecular Formula
C28H27N3O3
Molecular Weight
453.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bdf 9148

sodium channel activator; structure given in first source; BDF 9196 - S enantiomer; LY-341311 is the (S)-isomer and monohydrate

CAS Number120838-62-2
PubChem CID123765
IUPAC Name4-[3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxypropoxy]-1H-indole-2-carbonitrile
Molecular FormulaC28H27N3O3
Molecular Weight453.5
XLogP4.4
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity660
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OCC(COC4=CC=CC5=C4C=C(N5)C#N)O
InChI
InChI=1S/C28H27N3O3/c29-15-22-14-25-26(30-22)12-7-13-27(25)34-19-23(32)18-33-24-16-31(17-24)28(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,23-24,28,30,32H,16-19H2
InChIKey
KQQFGABYYXEKDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bdf 9148
CAS: 120838-62-2
CID: 123765
Formula: C28H27N3O3
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass453.20524173
Monoisotopic Mass453.20524173
Topological Polar Surface Area81.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity660
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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