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TG02 (Double bond E)

CAT: 0926-FS174829-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FS174829-03Size:50 mg
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CAS Number
1204918-72-8
Smiles
CN1C/C=C/CCOC2=CC=CC (=C2) C3=NC (=NC=C3) NC4=CC=CC (=C4) C1
Molecular Formula
C23H24N4O
Molecular Weight
372.46 g/mol
Controlled
No

Chemical Information

Zotiraciclib

Zotiraciclib is under investigation in clinical trial NCT02942264 (Zotiraciclib (TG02) Plus Dose-dense or Metronomic Temozolomide Followed by Randomized Phase II Trial of Zotiraciclib (TG02) Plus Temozolomide Versus Temozolomide Alone in Adults With Recurrent Anaplastic Astrocytoma and Glioblastoma).

CAS Number1204918-72-8
PubChem CID16739650
IUPAC Name(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
Molecular FormulaC23H24N4O
Molecular Weight372.5
XLogP4.2
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity499
SMILES
CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1
InChI
InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
InChIKey
VXBAJLGYBMTJCY-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Zotiraciclib
CAS: 1204918-72-8
CID: 16739650
Formula: C23H24N4O
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass372.19501140
Monoisotopic Mass372.19501140
Topological Polar Surface Area50.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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