Ethoheptazine citrate

ethyl 1-methyl-4-phenylazepane-4-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid

CAS: 6700-56-7

Molecular Formula	`C22H31NO9`
Molecular Weight	453.5 g/mol
Topological Polar Surface Area	162.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	453.1999
Heavy Atoms	32
Complexity	526.0

Chemical Identifiers

CAS Number	6700-56-7
SMILES	`CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O`
InChIKey	`KCVHFFSPDODYOG-UHFFFAOYSA-N`

📖 Product Overview

Ethoheptazine citrate (CAS: 6700-56-7) is a chemical compound with molecular formula C22H31NO9 and molecular weight 453.5 g/mol. Its IUPAC systematic name is ethyl 1-methyl-4-phenylazepane-4-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid. Topological Polar Surface Area 162.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 9 Exact Mass 453.1999 Heavy Atoms 32 Complexity 526.0 InChI Key: KCVHFFSPDODYOG-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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