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Chemical structure of TAS-103 dihydrochloride (BMS-247615 dihydrochloride)

GC32822

TAS-103 dihydrochloride (BMS-247615 dihydrochloride)

Also known as 6-[2-(dimethylamino)ethylamino]-3-hydroxyindeno[2,1-c]quinolin-7-one;dihydrochloride

TAS-103 dihydrochloride (BMS-247615 dihydrochloride) is a dual inhibitor of DNA topoisomerase I/II, used for cancer research

ChemicalCAS174634-09-4MW406.31FormulaC20H21Cl2N3O2
CAS number
174634-09-4
Molecular weight
406.31
Formula
C20H21Cl2N3O2
Solubility
Water ： 15·3 mg/mL (37·66 mM)
InChIKey
HAYAYGFVSIWSGQ-UHFFFAOYSA-N
Catalogue number
GC32822
Brand
GLPBIO
Computed properties PubChem CID 135413532 · TPSA 65.5 Ų · H-bond donors 4 · H-bond acceptors 5
TPSA
65.5 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

SMILES CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43.Cl.Cl

Computed descriptors from PubChem (CID 135413532), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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