Product Code

TRC-A630625

CAS Number

254902-29-9

Product Format

Neat

Molecular Formula

C14 H13 N O6 S

Molecular Weight

323.321

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

5'-Amino Tolcapone 3-Sulfate

CAS Number

254902-29-9

Molecular Formula

C14 H13 N O6 S

Molecular Weight

323.321

Accurate Mass

323.046

SMILES

Cc1ccc(cc1)C(=O)c2cc(N)c(O)c(OS(=O)(=O)O)c2

InChI

InChI=1S/C14H13NO6S/c1-8-2-4-9(5-3-8)13(16)10-6-11(15)14(17)12(7-10)21-22(18,19)20/h2-7,17H,15H2,1H3,(H,18,19,20)

IUPAC

[3-amino-2-hydroxy-5-(4-methylbenzoyl)phenyl] hydrogen sulfate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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5’-Amino Tolcapone 3-Sulfate

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