(3S)-6,7-Dimethoxy-3-[(1R)-1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl]-1(3H)-isobenzofuranone
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- structure.search.product.name (3S)-6,7-Dimethoxy-3-[(1R)-1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl]-1(3H)-isobenzofuranone
- Product Code: MM1232.02-0025
- CAS Number: 78213-27-1
- Brand: Mikromol
Documentation
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Product Information
Analyte Data
Analyte Name
(3S)-6,7-Dimethoxy-3-[(1R)-1,2,3,4-tetrahydro-6,7-dihydroxy-8-methoxy-2-methyl-1-isoquinolinyl]-1(3H)-isobenzofuranone
CAS Number
78213-27-1
Molecular Formula
C21 H23 N O7
Molecular Weight
401.41
Accurate Mass
401.1475
SMILES
COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc(O)c(O)c(OC)c34
InChI
InChI=1S/C21H23NO7/c1-22-8-7-10-9-12(23)17(24)20(28-4)14(10)16(22)18-11-5-6-13(26-2)19(27-3)15(11)21(25)29-18/h5-6,9,16,18,23-24H,7-8H2,1-4H3/t16-,18+/m1/s1
IUPAC
(3S)-3-[(1R)-6,7-dihydroxy-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
Product Data
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Type
Impurity
Product Format
Neat
API Family