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Thiocolchicoside

Molecular FormulaC₂₇H₃₃NO₁₀S
Average mass563.617 Da
Monoisotopic mass563.182495 Da
ChemSpider ID8091534

- 6 of 6 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(S)-N-[3-(β-D-glucopyranosyloxy)-1,2-dimethoxy-10(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo [a] heptalen-7-yl] acetamide

10-Thiocolchicoside

210-017-7 [EINECS]

2-Demethoxy-2-glucosidoxythiocolchicine

3,10-Di(demethoxy)-3-glucosyloxy-10-methylthiocolchicine

4-17-00-03428 [Beilstein]

602-41-5 [RN]

AC2976015

Acetamide, N-[(7S)-3-(β-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]- [ACD/Index Name]

Coltramyl [Trade name]

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MFCD07995056 [MDL number]

Musco-ril [Trade name]

N-[(7S)-3-(b-D-glucopyranosyloxy)-1,2-dimethoxy-10-(methylthio)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

N-[(7S)-3-(β-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamid [German] [ACD/IUPAC Name]

N-[(7S)-3-(β-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide [ACD/IUPAC Name]

N-[(7S)-3-(β-D-Glucopyranosyloxy)-1,2-diméthoxy-10-(méthylsulfanyl)-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]acétamide [French] [ACD/IUPAC Name]

R. 271

T1X8S697GT

Thiocolchicine Glycoside

thiocolchicoside [French] [INN]

Thiocolchicoside [INN] [Wiki]

thiocolchicosidum [Latin] [INN]

Tiocolchicoside [Trade name]

tiocolchicósido [Spanish] [INN]

UNII:T1X8S697GT

тиоколхикозид [Russian] [INN]

ثيوكولشيكوزيد [Arabic] [INN]

硫秋水仙苷 [Chinese] [INN]

[602-41-5] [RN]

10-thio-Colchicoside

62-46-4 [RN]

BRN0072205

MFCD01631142 [MDL number]

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

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

N-[(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

N-[(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[d]heptalen-7-yl]acetamide

N-[(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[d]heptalen-7-yl]ethanamide

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

N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

N-[(7S)-9-keto-1,2-dimethoxy-10-(methylthio)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide

TCC

TCC; Thiocolchicine 2-glucoside analog

Thiocolchicine 2-glucoside analog

Thiocolchicoside crystallised from ethanol

UNII-T1X8S697GT

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

671 [DBID]

BRN 0072205 [DBID]

NSC 147755 [DBID]

NSC147755 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.5±0.1 g/cm³
Boiling Point:	929.6±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	141.7±3.0 kJ/mol
Flash Point:	516.0±34.3 °C
Index of Refraction:	1.657
Molar Refractivity:	141.8±0.4 cm³
#H bond acceptors:	11
#H bond donors:	5
#Freely Rotating Bonds:	7
#Rule of 5 Violations:	3

ACD/LogP:	-1.23
ACD/LogD (pH 5.5):	-0.31
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	16.07
ACD/LogD (pH 7.4):	-0.31
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	16.07
Polar Surface Area:	189 Å²
Polarizability:	56.2±0.5 10^-24cm³
Surface Tension:	73.6±5.0 dyne/cm
Molar Volume:	385.6±5.0 cm³

Click to predict properties on the Chemicalize site

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Thiocolchicoside

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