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Summary Geometry Related PDB entries

CX3

Summary

Name:	[2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione]chloridoplatinum(1+)
Formula:	C19 H24 Cl N4 O2 Pt
Formal charge:	null
Formula weight:	570.95 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	[2-(3-{bis[2-(amino-kappaN)ethyl]amino-kappaN}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione]chloridoplatinum(1+)
OpenEye OEToolkits	3.1.0.0	2-[3-(1-chloranyl-2$l^{4},8$l^{4}-diaza-5-azonia-1$l^{4}-platinabicyclo[3.3.0]octan-5-yl)propyl]benzo[de]isoquinoline-1,3-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cl[Pt]12[NH2]CC[N+]2(CC[NH2]1)CCCN1C(=O)c2cccc3cccc(c23)C1=O
InChI	InChI	1.06	InChI=1S/C19H24N4O2.ClH.Pt/c20-8-12-22(13-9-21)10-3-11-23-18(24)15-6-1-4-14-5-2-7-16(17(14)15)19(23)25;;/h1-2,4-7H,3,8-13,20-21H2;1H;/q;;+2/p-1
InChIKey	InChI	1.06	ZELMDHZLIXAXEZ-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	NCCN(CCN)CCCN1C(=O)c2cccc3cccc(C1=O)c23.Cl[Pt]
SMILES	CACTVS	3.385	NCCN(CCN)CCCN1C(=O)c2cccc3cccc(C1=O)c23.Cl[Pt]
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CC[NH2][Pt]4([NH2]CC5)Cl
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCC[N+]45CC[NH2][Pt]4([NH2]CC5)Cl

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PDB entries from 2026-09-23

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