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TG 100801 500mg

CAT: 0628-A13819-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A13819-500Size:500 mg
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CAS Number
867331-82-6

Chemical Information

TG 100801

TG100801 is a topically applied kinase inhibitor in macular degeneration patients. It is administered noninvasively as an eye drop and is designed to suppress VEGF mediated leakage and additional kinase targets associated with inflammation, edema, and angiogenesis which are the pathological hallmarks of AMD and other back of the eye diseases including diabetic macular edema and proliferative diabetic retinopathy.

CAS Number867331-82-6
PubChem CID11973736
IUPAC Name[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
Molecular FormulaC33H30ClN5O3
Molecular Weight580.1
XLogP7
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity848
SMILES
CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl
InChI
InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)
InChIKey
JMGXJHWTVBGOKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TG 100801
CAS: 867331-82-6
CID: 11973736
Formula: C33H30ClN5O3
MW: 580.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.1
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass579.2037175
Monoisotopic Mass579.2037175
Topological Polar Surface Area89.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity848
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3870-5TG 100801
T13157L-01TG 100801 Hydrochloride
HY-10187TG 100801 (Hydrochloride)
MBS3840968-01TG 100801 HCl
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PPCBC18060L500GA500mg/6ml
09566-11011Welchrom O-PTC, 500mg/500mg/6mL, 30pcs/pk
00544-11011Welchrom Silica/PSA, 500mg/500mg/6mL, 30pcs/pk
00569-11157Welchrom SAX/PSA, 500mg/500mg, 12mL, 20pcs/pk

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