6-hydroxy-6-oxohexanoate1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol

6-hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol

CAS: 93203-03-3

Molecular Formula	`C21H25NO7`
Molecular Weight	403.4 g/mol
Topological Polar Surface Area	155.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	403.16312
Heavy Atoms	29
Complexity	428.0

Chemical Identifiers

CAS Number	93203-03-3
SMILES	`C1C(C2=C(C=CC(=C2)O)C([NH2+]1)C3=CC=C(C=C3)O)O.C(CCC(=O)[O-])CC(=O)O`
InChIKey	`CPNCKFLCWPDSLK-UHFFFAOYSA-N`

📖 Product Overview

6-hydroxy-6-oxohexanoate1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol (CAS: 93203-03-3) is a chemical compound with molecular formula C21H25NO7 and molecular weight 403.4 g/mol. Its IUPAC systematic name is 6-hydroxy-6-oxohexanoate;1-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol. Topological Polar Surface Area 155.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 403.16312 Heavy Atoms 29 Complexity 428.0 InChI Key: CPNCKFLCWPDSLK-UHFFFAOYSA-N. SMILES: C1C(C2=C(C=CC(=C2)O)C([NH2+]1)C3=CC=C(C=C3)O)O.C(CCC(=O)[O-])CC(=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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