CX8

[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum

Created:	2014-12-05
Last modified:	2015-09-02

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1 entries where CX8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	11

2D diagram of CX8

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Chemical Component Summary
Name	[2-{3-[(2-{[2-(amino-kappaN)ethyl]amino-kappaN}ethyl)amino-kappaN]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dionato(3-)]platinum
Systematic Name (OpenEye OEToolkits)	2-[3-(1,4,6-triaza-5$l^{3}-platinabicyclo[3.3.0]octan-4-yl)propyl]benzo[de]isoquinoline-1,3-dione
Formula	C₁₉ H₂₁ N₄ O₂ Pt
Molecular Weight	532.474
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3c1c2c(ccc1)cccc2C(=O)N3CCCN5[Pt]4NCCN4CC5
SMILES	CACTVS	3.385	O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45
SMILES	OpenEye OEToolkits	1.9.2	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5
Canonical SMILES	CACTVS	3.385	O=C1N(CCCN2CCN3CCN[Pt]23)C(=O)c4cccc5cccc1c45
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCN5[Pt]4NCC5
InChI	InChI	1.03	InChI=1S/C19H21N4O2.Pt/c20-8-10-22-12-11-21-9-3-13-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;/h1-2,4-7,20H,3,8-13H2;/q-3;+3
InChIKey	InChI	1.03	XUMMUUAWYGZUAF-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.