Chlorothen citrate

N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid

CAS: 148-64-1

Molecular Formula	`C20H26ClN3O7S`
Molecular Weight	488.0 g/mol
Topological Polar Surface Area	180.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	487.118
Heavy Atoms	32
Complexity	492.0

Chemical Identifiers

CAS Number	148-64-1
SMILES	`CN(C)CCN(CC1=CC=C(S1)Cl)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O`
InChIKey	`LLQVTRFPENCFFC-UHFFFAOYSA-N`

📖 Product Overview

Chlorothen citrate (CAS: 148-64-1) is a chemical compound with molecular formula C20H26ClN3O7S and molecular weight 488.0 g/mol. Its IUPAC systematic name is N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid. Topological Polar Surface Area 180.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 11 Rotatable Bonds 11 Exact Mass 487.118 Heavy Atoms 32 Complexity 492.0 InChI Key: LLQVTRFPENCFFC-UHFFFAOYSA-N. SMILES: CN(C)CCN(CC1=CC=C(S1)Cl)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.

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