Selitrectinib 10mg

CAT: 0628-A19252-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A19252-10Size:10 mg

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CAS Number

2097002-61-2

Chemical Information

Selitrectinib

Selitrectinib is under investigation in clinical trial NCT03215511 (Phase 1/2 Study of LOXO-195 in Patients With Previously Treated NTRK Fusion Cancers).

CAS Number	2097002-61-2
PubChem CID	129103609
IUPAC Name	(6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
Molecular Formula	C20H21FN6O
Molecular Weight	380.4
XLogP	2
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	28
Formal Charge	0
Complexity	593

SMILES

C[C@@H]1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1

InChI

InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1

InChIKey

OEBIHOVSAMBXIB-SJKOYZFVSA-N

Chemical Structure

2D Structure

CAS: 2097002-61-2

CID: 129103609

Formula: C20H21FN6O

MW: 380.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	380.4
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	380.17608748
Monoisotopic Mass	380.17608748
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	593
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5758331	Selitrectinib
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BT-20	Blend BPC157 10mg + TB500 10mg

Selitrectinib 10mg

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