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Litronesib 10mg

CAT: 0628-A22038-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22038-10Size:10 mg
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CAS Number
910634-41-2

Chemical Information

Litronesib

Litronesib has been used in trials studying the treatment of Solid Tumors, Ovarian Cancer, Gastric Cancer, Prostate Cancer, and Acute Leukaemia, among others.

CAS Number910634-41-2
PubChem CID25167017
IUPAC NameN-[(5R)-4-(2,2-dimethylpropanoyl)-5-[[2-(ethylamino)ethylsulfonylamino]methyl]-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
Molecular FormulaC23H37N5O4S2
Molecular Weight511.7
XLogP3.1
Topological Polar Surface Area154
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity865
SMILES
CCNCCS(=O)(=O)NC[C@@]1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)/t23-/m0/s1
InChIKey
YVAFBXLHPINSIK-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Litronesib
CAS: 910634-41-2
CID: 25167017
Formula: C23H37N5O4S2
MW: 511.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.7
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass511.22869703
Monoisotopic Mass511.22869703
Topological Polar Surface Area154 Ų
Heavy Atom Count34
Formal Charge0
Complexity865
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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