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Genz-123346 free base

CAT: 1568-C11946-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C11946-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
491833-30-8
Target
Prostaglandin Receptor
Applications
GPCR & G Protein
Smiles
CCCCCCCCC (=O) NC (CN1CCCC1) C (C2=CC3=C (C=C2) OCCO3) O
Molecular Formula
C24H38N2O4
Additionnal Information
Genz-123346 is an inhibitor of GL1 synthase that blocks the conversion of ceramide to GL1, the first step in the biosynthesis of gangliosides and other glycosphingolipids.
Storage Conditions
3 years -20°C powder

Chemical Information

Genz-123346
CAS Number491833-30-8
PubChem CID23652732
IUPAC NameN-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
Molecular FormulaC24H38N2O4
Molecular Weight418.6
XLogP4.2
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity498
SMILES
CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O
InChI
InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24-/m1/s1
InChIKey
JMNXWOFCUJJYEO-HYBUGGRVSA-N
Chemical Structure
2D Structure
2D structure of Genz-123346
CAS: 491833-30-8
CID: 23652732
Formula: C24H38N2O4
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass418.28315770
Monoisotopic Mass418.28315770
Topological Polar Surface Area71 Ų
Heavy Atom Count30
Formal Charge0
Complexity498
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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