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Substance Name: Benzo(a)heptalene-7-carbamic acid, 5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxy-, butyl ester
RN: 97043-04-4
InChIKey: BJAJYTAHDSJTTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O6-S

Molecular Weight

  • 473.5869
 
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Names and Synonyms

Synonyms

  • BRN 5659556
  • N-(Butoxycarbonyl)deacetylthiocolchicine

Systematic Name

  • Benzo(a)heptalene-7-carbamic acid, 5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxy-, butyl ester

Registry Numbers

CAS Registry Number

  • 97043-04-4

System Generated Number

  • 0097043044

Structure Descriptors

InChI

1S/C25H31NO6S/c1-6-7-12-32-25(28)26-18-10-8-15-13-20(29-2)23(30-3)24(31-4)22(15)16-9-11-21(33-5)19(27)14-17(16)18/h9,11,13-14,18H,6-8,10,12H2,1-5H3,(H,26,28)

InChIKey

BJAJYTAHDSJTTM-UHFFFAOYSA-N

Smiles

CCCCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(SC)C(=O)C=C13

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 81mg/kg (81mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1204, 1985.