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(S)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt - ≥97.0%, high purity , CAS No.77497-97-3
Basic Description
Synonyms | (s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid benzyl ester tosylate | Benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinoline-carboxylate p-toluenesulfonic acid salt | Benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt |
Specifications & Purity | ≥97% |
Shipped In | Normal |
Product Description | Used to prepare a novel class of antifungal agents |
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Names and Identifiers
IUPAC Name | benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;4-methylbenzenesulfonic acid |
INCHI | InChI=1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1 |
InChi Key | PSMBIFNNFMRIMV-NTISSMGPSA-N |
Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1C(NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3 |
Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H](NCC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3 |
WGK Germany | 2 |
PubChem CID | 12766750 |
Molecular Weight | 439.52 |
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Chemical and Physical Properties
Safety and Hazards(GHS)
Pictogram(s) | GHS09 |
Hazard Statements | H411:Toxic to aquatic life with long lasting effects |
Precautionary Statements | P273:Avoid release to the environment. |
WGK Germany | 2 |
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