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Lemborexant (E2006)

CAT: 0013-GTR19153816-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153816-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lemborexant (E-2006) is a dual antagonist of the orexin OX1 and OX2 receptors which is under development for treatment of insomnia.
CAS Number
1369764-02-2
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
O=C ([C@H]1[C@@] (C2=CC=CC (F) =C2) (COC3=CN=C (C) N=C3C) C1) NC4=NC=C (F) C=C4
Molecular Formula
C22H20F2N4O2
Molecular Weight
410.416611671448
Notes
For research use only.

Chemical Information

Lemborexant

Lemborexant is a DEA Schedule IV controlled substance. Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III. It is a Depressants substance.

CAS Number1369764-02-2
PubChem CID56944144
IUPAC Namecis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
Molecular FormulaC22H20F2N4O2
Molecular Weight410.4
XLogP3.2
Topological Polar Surface Area77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity612
SMILES
CC1=NC(=NC=C1OC[C@]2(C[C@H]2C(=O)NC3=NC=C(C=C3)F)C4=CC(=CC=C4)F)C
InChI
InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1
InChIKey
MUGXRYIUWFITCP-PGRDOPGGSA-N
Chemical Structure
2D Structure
2D structure of Lemborexant
CAS: 1369764-02-2
CID: 56944144
Formula: C22H20F2N4O2
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass410.15543222
Monoisotopic Mass410.15543222
Topological Polar Surface Area77 Ų
Heavy Atom Count30
Formal Charge0
Complexity612
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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FL103847-01Lemborexant
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TRC-L125180-25MGLemborexant M4
RM-L500011-01Lemborexant Impurity 11
RM-L500015-01Lemborexant Impurity 15
RM-L500014-01Lemborexant Impurity 14
RM-L500036-01Lemborexant Impurity 36
RM-L500008-01Lemborexant Impurity 8
RM-L500021-01Lemborexant Impurity 21

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