3-{trans-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(methyl-13C)-1-[(3,4,5-trimethoxyphenyl)methyl]-2-isoquinolinio}propyl-1-sulfate
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- structure.search.product.name 3-{trans-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(methyl-13C)-1-[(3,4,5-trimethoxyphenyl)methyl]-2-isoquinolinio}propyl-1-sulfate
- Product Code: TRC-T293697
- Brand: TRC
Product Overview
Product Code
TRC-T293697
Product Format
Neat
Molecular Formula
C24¹³CH35NO9S
Molecular Weight
526.6
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
3-(trans-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-(methyl-13C)-1-[(3,4,5-trimethoxyphenyl)methyl]-2-isoquinolinio)propyl-1-sulfate
Molecular Formula
C24¹³CH35NO9S
Molecular Weight
526.6
Accurate Mass
526.21
SMILES
[13CH3][N@+]([C@H]1CC2=CC(OC)=C(OC)C(OC)=C2)(CCCOS(=O)([O-])=O)CCC3=C1C=C(OC)C(OC)=C3
InChI
InChI=1S/C25H35NO9S/c1-26(9-7-11-35-36(27,28)29)10-8-18-15-21(30-2)22(31-3)16-19(18)20(26)12-17-13-23(32-4)25(34-6)24(14-17)33-5/h13-16,20H,7-12H2,1-6H3/t20-,26-/m0/s1/i1+1
IUPAC
3-((1S,2R)-6,7-dimethoxy-2-(methyl-13C)-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl sulfate
Unlabelled CAS Number
for (1R,2S) 213999-55-4
SIL Type
Carbon
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
Product Description
Intermediate for the synthesis of dimeric and substituted isoquinolines as ultra short acting neuromuscular blockers.
References: Stenlake, J., et al.: Eur. J. Med. Chem., 16, 515 (1981), Boros, E., et al.: J. Med. Chem., 42, 206 (1999).
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