3-Carboxy-4-hydroxybenzenesulfonate;6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

CAS

63937-54-2

Catalog Number

ACM63937542

Category

Other Products

Molecular Weight

588.626 g/mol

Molecular Formula

C₂₈H₃₂N₂O₁₀S

MSDS COA Spec Sheet

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Specification

Synonyms

CID45487, LS-85918, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-(alpha-METHYL-4-NITRO), 63937-54-2, Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(alpha-methyl-4-nitro)phenethyl-, hydrogen sulfosalicylate

IUPAC Name

3-carboxy-4-hydroxybenzenesulfonate; 6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Canonical SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])C2C3=CC(=C(C=C3CC[NH+]2C)OC)OC.C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)O)O

InChI Key

JEPRBUKYZNSROP-UHFFFAOYSA-N

Boiling Point

501.9ºC at 760 mmHg

Flash Point

257.3ºC

Exact Mass

588.17800

H-Bond Acceptor

H-Bond Donor

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