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Zurletrectinib

CAT: 0013-GTR19210366-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210366-03Size:100 mg
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Description
Zurletrectinib
CAS Number
2403703-30-8
Field of Research
Signal Transduction
Smiles
F[C@H]1C[C@]2 (N (C3=NC=4N (C=C3) N=CC4NC (=O) NC[C@H] (C) OC=5C2=CC (F) =CN5) C1) [H]
Molecular Formula
C19H19F2N7O2
Molecular Weight
415.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zurletrectinib

Zurletrectinib is a small molecule drug. The usage of the INN stem '-trectinib' in the name indicates that Zurletrectinib is a tropomyosin receptor kinase (TRK) inhibitor. Zurletrectinib has a monoisotopic molecular weight of 415.16 Da.

CAS Number2403703-30-8
PubChem CID156371488
IUPAC Name(4S,6R,14S)-4,9-difluoro-14-methyl-13-oxa-2,11,16,18,21,22,25-heptazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-17-one
Molecular FormulaC19H19F2N7O2
Molecular Weight415.4
XLogP1.4
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity738
SMILES
C[C@H]1CNC(=O)NC2=C3N=C(C=CN3N=C2)N4C[C@H](C[C@@H]4C5=C(O1)N=CC(=C5)F)F
InChI
InChI=1S/C19H19F2N7O2/c1-10-6-23-19(29)25-14-8-24-28-3-2-16(26-17(14)28)27-9-12(21)5-15(27)13-4-11(20)7-22-18(13)30-10/h2-4,7-8,10,12,15H,5-6,9H2,1H3,(H2,23,25,29)/t10-,12-,15+/m0/s1
InChIKey
OIBWCYRRWAMTRW-ITDIGPHOSA-N
Chemical Structure
2D Structure
2D structure of Zurletrectinib
CAS: 2403703-30-8
CID: 156371488
Formula: C19H19F2N7O2
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass415.15682920
Monoisotopic Mass415.15682920
Topological Polar Surface Area96.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity738
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

Alternative Products

CatalogName
T69650-01Zurletrectinib

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