NSC 288397

2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylacetyl)-9H-xanthen-2-yl]ethanone dichloride

CAS: 37971-96-3

Molecular Formula	`C27H34Cl2N2O3`
Molecular Weight	505.5 g/mol
Topological Polar Surface Area	52.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	504.19464
Heavy Atoms	34
Complexity	601.0

Chemical Identifiers

CAS Number	37971-96-3
SMILES	`C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)C[NH+]5CCCCC5.[Cl-].[Cl-]`
InChIKey	`SFTPXMOMVLJZAF-UHFFFAOYSA-N`

📖 Product Overview

NSC 288397 (CAS: 37971-96-3) is a chemical compound with molecular formula C27H34Cl2N2O3 and molecular weight 505.5 g/mol. Its IUPAC systematic name is 2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylacetyl)-9H-xanthen-2-yl]ethanone dichloride. Topological Polar Surface Area 52.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 504.19464 Heavy Atoms 34 Complexity 601.0 InChI Key: SFTPXMOMVLJZAF-UHFFFAOYSA-N. SMILES: C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)C[NH+]5CCCCC5.[Cl-].[Cl-].

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