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Elenbecestat 10mg

CAT: 0628-A19223-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A19223-10Size:10 mg
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CAS Number
1388651-30-6

Chemical Information

Elenbecestat

Elenbecestat is under investigation in clinical trial NCT02956486 (A 24-Month Study to Evaluate the Efficacy and Safety of Elenbecestat (E2609) in Subjects With Early Alzheimer's Disease).

CAS Number1388651-30-6
PubChem CID57827330
IUPAC NameN-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.4
XLogP1.4
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity687
SMILES
C[C@@H]1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(N=C4)C(F)F)F)N
InChI
InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1
InChIKey
AACUJFVOHGRMTR-DPXNYUHVSA-N
Chemical Structure
2D Structure
2D structure of Elenbecestat
CAS: 1388651-30-6
CID: 57827330
Formula: C19H18F3N5O2S
MW: 437.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass437.11333049
Monoisotopic Mass437.11333049
Topological Polar Surface Area128 Ų
Heavy Atom Count30
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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