Compound C26H38Br2N2O4

2-hydroxyethyl-[3-[4-[4-[3-[2-hydroxyethyl(dimethyl)azaniumyl]-3-oxopropyl]phenyl]phenyl]propanoyl]-dimethylazanium dibromide

CAS: 77967-05-6

Molecular Formula	`C26H38Br2N2O4`
Molecular Weight	602.4 g/mol
Topological Polar Surface Area	74.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	602.1178
Heavy Atoms	34
Complexity	537.0

Chemical Identifiers

CAS Number	77967-05-6
SMILES	`C[N+](C)(CCO)C(=O)CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)[N+](C)(C)CCO.[Br-].[Br-]`
InChIKey	`MPXMAXPIJBCRJA-UHFFFAOYSA-L`

📖 Product Overview

Compound C26H38Br2N2O4 (CAS: 77967-05-6) is a chemical compound with molecular formula C26H38Br2N2O4 and molecular weight 602.4 g/mol. Its IUPAC systematic name is 2-hydroxyethyl-[3-[4-[4-[3-[2-hydroxyethyl(dimethyl)azaniumyl]-3-oxopropyl]phenyl]phenyl]propanoyl]-dimethylazanium dibromide. Topological Polar Surface Area 74.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 11 Exact Mass 602.1178 Heavy Atoms 34 Complexity 537.0 InChI Key: MPXMAXPIJBCRJA-UHFFFAOYSA-L. SMILES: C[N+](C)(CCO)C(=O)CCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)[N+](C)(C)CCO.[Br-].[Br-].

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