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Substance Name: Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-7-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)amino)-, (S)-
RN: 66568-83-0
InChIKey: DINYYSXLAGRWQI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H41-N-O13-S

Molecular Weight

  • 703.7579
 
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Names and Synonyms

Synonyms

  • BRN 5233750
  • Colchicine, N-deacetyl-10-demethoxy-N-(tetra-O-acetyl-beta-D-glucopyranosyl)-10-(methylthio)-

Systematic Name

  • Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-7-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 66568-83-0

System Generated Number

  • 0066568830

Structure Descriptors

InChI

1S/C34H41NO13S/c1-16(36)44-15-26-30(45-17(2)37)32(46-18(3)38)33(47-19(4)39)34(48-26)35-23-11-9-20-13-25(41-5)29(42-6)31(43-7)28(20)21-10-12-27(49-8)24(40)14-22(21)23/h10,12-14,23,26,30,32-35H,9,11,15H2,1-8H3

InChIKey

DINYYSXLAGRWQI-UHFFFAOYSA-N

Smiles

CC(=O)OCC1C(C(C(C(O1)NC2CCc3cc(c(c(c3-c4c2cc(=O)c(cc4)SC)OC)OC)OC)OC(=O)C)OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 109mg/kg (109mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.