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Elsubrutinib

CAT: 0607-BA8832-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8832-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1643570-24-4
Form
A solid
Molecular Formula
C17H19N3O2
Molecular Weight
297.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Elsubrutinib

Elsubrutinib is under investigation in clinical trial NCT04451772 (A Study of the Safety of Oral Elsubrutinib Capsules and Oral Upadacitinib Tablets Given Alone or in Combination (ABBV-599) for Adult Participants With Moderately to Severely Active Systemic Lupus Erythematosus to Assess Change in Disease State).

CAS Number1643570-24-4
PubChem CID117773770
IUPAC Name4-[(3S)-1-prop-2-enoylpiperidin-3-yl]-1H-indole-7-carboxamide
Molecular FormulaC17H19N3O2
Molecular Weight297.35
XLogP1.6
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity465
SMILES
C=CC(=O)N1CCC[C@H](C1)C2=C3C=CNC3=C(C=C2)C(=O)N
InChI
InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1
InChIKey
UNHZLHSLZZWMNP-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Elsubrutinib
CAS: 1643570-24-4
CID: 117773770
Formula: C17H19N3O2
MW: 297.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.35
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass297.147726857
Monoisotopic Mass297.147726857
Topological Polar Surface Area79.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5814969(R)-Elsubrutinib

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