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Tandutinib 50mg

CAT: 0628-A10887-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A10887-50Size:50 mg
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CAS Number
387867-13-2

Chemical Information

Tandutinib

Tandutinib is an N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a member of phenylureas, a member of piperidines, an aromatic ether, a member of quinazolines, a N-arylpiperazine, a N-carbamoylpiperazine and a tertiary amino compound.

CAS Number387867-13-2
PubChem CID3038522
IUPAC Name4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
Molecular FormulaC31H42N6O4
Molecular Weight562.7
XLogP4.6
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity783
SMILES
CC(C)OC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCCC5
InChI
InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
InChIKey
UXXQOJXBIDBUAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tandutinib
CAS: 387867-13-2
CID: 3038522
Formula: C31H42N6O4
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass562.32675384
Monoisotopic Mass562.32675384
Topological Polar Surface Area92.3 Ų
Heavy Atom Count41
Formal Charge0
Complexity783
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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