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N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide

N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide structure

CAS No:
87424-26-8
Formula:
C21H23NO5S
Chemical Name:
N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide
Synonyms:
Acetamide,N-[(7S)-5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-;Acetamide,N-[5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,(S)-;Benzo[a]heptalene,acetamide deriv.;N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide;2-Demethylthiocolchicine;NSC 369937

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Description

Yellow Crystalline Solid

N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide Basic Attributes

Molecular Weight：

401.481

Exact Mass：

401.48

DSSTox ID：

DTXSID40236341

Characteristics

PSA：

110

XLogP3：

Density：

1.33g/cm3

Melting Point：

218-220°C

Boiling Point：

766.8ºC at 760 mmHg

Flash Point：

417.6ºC

Refractive Index：

1.636

Drug Information

MeSH Entry Terms：

2-demethylthiocolchicine

N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide Use and Manufacturing

Has shown anti-tumor activity.

Computed Properties

Molecular Weight:401.5
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:401.12969401
Monoisotopic Mass:401.12969401
Topological Polar Surface Area:110
Heavy Atom Count:28
Complexity:728
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide

SDS

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