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465062

Sigma-Aldrich

Benzyl (S)-(−)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate p-toluenesulfonic acid salt

97%

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About This Item

Empirical Formula (Hill Notation):
C17H17NO2 · C7H8O3S
CAS Number:
Molecular Weight:
439.52
Beilstein/REAXYS Number:
5722289
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22

assay

97%

mp

145-150 °C (lit.)

SMILES string

Cc1ccc(cc1)S(O)(=O)=O.O=C(OCc2ccccc2)[C@@H]3Cc4ccccc4CN3

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

Application

Used to prepare a novel class of antifungal agents.

pictograms

Environment

hcodes

Hazard Classifications

Aquatic Chronic 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves


Certificates of Analysis (COA)

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Liu, L.T. et al.
Bioorganic & Medicinal Chemistry Letters, 6, 1335-1335 (1996)

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