3-Demethyl Thiocolchicine

Analyte Name

3-Demethyl Thiocolchicine

CAS Number

87424-25-7

Molecular Formula

C21 H23 N O5 S

Molecular Weight

401.48

Accurate Mass

401.1297

Flash Point

-20

SMILES

COc1c(O)cc2CC[C@H](NC(=O)C)C3=CC(=O)C(=CC=C3c2c1OC)SC

InChI

InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

IUPAC

N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Tariff Code

29398000

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Thiocolchicoside Hydrate; Thiocolchicine

Purity

>95% (HPLC)