TAS-103

CAT: 0926-ZGA63408-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ZGA63408-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

174634-08-3

Smiles

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

Molecular Formula

C20H19N3O2

Molecular Weight

333.4 g/mol

Controlled

Chemical Information

TAS-103 free base

inhibits topoisomerase I and topoisomerase II; structure in first source

CAS Number	174634-08-3
PubChem CID	135413533
IUPAC Name	6-[2-(dimethylamino)ethylamino]-3-hydroxyindeno[2,1-c]quinolin-7-one
Molecular Formula	C20H19N3O2
Molecular Weight	333.4
XLogP	3.9
Topological Polar Surface Area	65.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	497

SMILES

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

InChI

InChI=1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)

InChIKey

ROWSTIYZUWEOMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174634-08-3

CID: 135413533

Formula: C20H19N3O2

MW: 333.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.4
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	333.147726857
Monoisotopic Mass	333.147726857
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	497
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes