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Thiocolchicoside

CAT: 0013-GTR19158734-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158734-05Size:10 mg
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Description
Thiocolchicoside (Muscoril, Myoril, Neoflax) is a muscle relaxant with anti-inflammatory and analgesic effects. It acts as a competitive GABAA receptor antagonist and also glycine receptor antagonist with similar potency and nicotinic acetylcholine receptors to a much lesser extent. It has powerful convulsant activity and should not be used in seizure-prone individuals. (In Vitro) :Thiocolchicoside (0.001, 0.1, 1, 10, 100 μM) reduces the amplitude of eIPSCs in a concentration-dependent manner with this effect being significant at 0.1 μM and maximal at 10 μM.
CAS Number
602-41-5
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (443.56 mM)
Smiles
CC (=O) NC1CCC2=CC (=C (C (=C2C3=CC=C (C (=O) C=C13) SC) OC) OC) OC4C (C (C (C (O4) CO) O) O) O
Molecular Formula
C27H33NO10S
Molecular Weight
563.61
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Thiocolchicoside

N-[(7S)-1,2-dimethoxy-10-(methylthio)-9-oxo-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is a glycoside.

CAS Number602-41-5
PubChem CID9915886
IUPAC NameN-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Molecular FormulaC27H33NO10S
Molecular Weight563.6
XLogP-0.4
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1010
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16-,19+,22+,23-,24+,27+/m0/s1
InChIKey
LEQAKWQJCITZNK-AXHKHJLKSA-N
Chemical Structure
2D Structure
2D structure of Thiocolchicoside
CAS: 602-41-5
CID: 9915886
Formula: C27H33NO10S
MW: 563.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight563.6
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass563.18251742
Monoisotopic Mass563.18251742
Topological Polar Surface Area189 Ų
Heavy Atom Count39
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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