N-[(7S)-3-(beta-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | CAS No. 602-41-5

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

Basic Information

CAS Number

602-41-5

Molecular Formula

C27H33NO10S

Molecular Weight

563.63 g/mol

AD

Basic Physical Properties

Melting Point

220°C(dec.)

Boiling Point

929.624°C at 760 mmHg

Density

1.2222 (rough estimate)

Solubility

10mg/mL

Refractive Index

1.6550 (estimate)

Specific Rotation

-609° (c=1, H2O)

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

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

LogP

0.7549999999999999

Topological Polar Surface Area

164.01 Ų

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

1010

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Coltramyl (TN)
  • EINECS 210-017-7
  • THIOCOLCHICOSIDE [MART.]
  • Thiocolchicosidum [INN-Latin]
  • D07276
  • NSC 147755
  • Acetamide, N-(3-(beta-D-glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
  • Musco-ril
  • AKOS016010119
  • MFCD07995056
  • CS-0008802
  • BRD-K26619122-001-01-3
  • HMS3886E11
  • Colchicoside, 10-thio-
  • BRN 0072205
  • 10-Thiocolchicoside
  • Thiocolchicoside [INN:DCF]
  • BDBM233193
  • CHEBI:94557
  • Thiocolchicoside (INN)
  • NCGC00016519-01
  • CHEMBL213907
  • HY-N0301
  • AS-14082
  • Thiocolchicoside for system suitability, EuropePharmacopoeia (EP) Reference Standard
  • UNII-T1X8S697GT
  • Tiocolchicosido
  • 602-41-5
  • Thiocolchicosidum
  • CAS-602-41-5
  • SCHEMBL240410

MDL Number

MFCD07995056

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