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Thiocolchicine

Thiocolchicine structure

CAS No:
2730-71-4
Formula:
C22H25NO5S
Chemical Name:
Thiocolchicine
Synonyms:
Acetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-;Colchicine,10-thio-;Acetamide,N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,(S)-;Colchicine,thio-;Benzo[a]heptalene,acetamide deriv.;N-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide;Thiocolchicine;10-Demethoxy-10-(methylthio)colchicine;NSC 186301;SML 0954

Description

Thiocolchicine is an antimitotic alkaloid that binds to microtubules and inhibits tubulin polymerization and induces apoptosis. (NCI)

Thiocolchicine Basic Attributes

Molecular Weight：

415.5

Exact Mass：

415.50

EC Number：

220-346-8

UNII：

47541468FI

NSC Number：

186301

DSSTox ID：

DTXSID90181751

NCI Thesaurus Code：

C1252

Characteristics

PSA：

99.2 Å²

Density：

1.27±0.1 g/cm3

Melting Point：

193 °C

Boiling Point：

729.1±60.0 °C(Predicted)

PKA：

14.75±0.40

Safety Information

Transport codes：

UN 1544PSN1 6.1 / PGI

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

GHS Classification：

|Danger|H300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]|P201, P202, P260, P264, P270, P271, P280, P281, P284, P301+P310, P304+P340, P305+P351+P338, P308+P313, P310, P320, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

thiocholchicine

Thiocolchicine Use and Manufacturing

A muscle relaxant.

Computed Properties

Molecular Weight:415.5
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:415.14534407
Monoisotopic Mass:415.14534407
Topological Polar Surface Area:99.2
Heavy Atom Count:29
Complexity:744
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Thiocolchicine

CAS No.: 2730-71-4

Content: 98%

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Guide of Thiocolchicine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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