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Ibiglustat (L-Malic acid)

CAT: 1410-M26254-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26254-01Size:2 mg
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Description
Ibiglustat (L-Malic acid) is a selective, brain-penetrant, and allosteric inhibitor of glucosylceramide synthase.
CAS Number
1629063-78-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
523.57
Molecular Formula
C24H30FN3O7S
Notes
Research use only, not for human use.
Receptor
Tubulin polymerization

Chemical Information

Venglustat Malate

See also: Venglustat (has active moiety).

CAS Number1629063-78-0
PubChem CID60199241
IUPAC Name[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate;(2S)-2-hydroxybutanedioic acid
Molecular FormulaC24H30FN3O7S
Molecular Weight523.6
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity662
SMILES
CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4.C([C@@H](C(=O)O)O)C(=O)O
InChI
InChI=1S/C20H24FN3O2S.C4H6O5/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24;5-2(4(8)9)1-3(6)7/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)/t16-;2-/m10/s1
InChIKey
SQXUKOJKIWCALK-AAXLQGCPSA-N
Chemical Structure
2D Structure
2D structure of Venglustat Malate
CAS: 1629063-78-0
CID: 60199241
Formula: C24H30FN3O7S
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight523.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass523.17884964
Monoisotopic Mass523.17884964
Topological Polar Surface Area178 Ų
Heavy Atom Count36
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes