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Structure

2-Demethyl thiocolchicine

CAS
87424-26-8
Catalog Number
ACM87424268
Category
Other Products
Molecular Weight
401.48
Molecular Formula
C21H23NO5S

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Specification

Synonyms
N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide; NSC 369937;
IUPAC Name
N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Canonical SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC
InChI Key
OMQLBXIHBJAOIO-HNNXBMFYSA-N
Boiling Point
766.8ºC at 760 mmHg
Melting Point
218-220ºC
Flash Point
417.6ºC
Density
1.33g/cm³
Appearance
Yellow Crystalline Solid
Exact Mass
401.13000
H-Bond Acceptor
5
H-Bond Donor
2
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