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Substance Name: IDN 5005
RN: 76129-16-3
UNII: 56PC0J2FKW
InChIKey: LNELBQZKXVASLW-AWEZNQCLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-F3-N-O5-S

Molecular Weight

  • 469.4778
 
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Names and Synonyms

Results Name

  • IDN 5005

Name of Substance

  • IDN-5005

Synonyms

  • BRN 5318221
  • Colchicine, 10-demethoxy-10-(methylthio)-17,17,17-trifluoro-
  • IDN 5005
  • N-(Trifluoroacetyl)deacetylthiocolchicine
  • NSC 320301
  • UNII-56PC0J2FKW

Systematic Name

  • Acetamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-2,2,2-trifluoro-, (S)-

Registry Numbers

CAS Registry Number

  • 76129-16-3

FDA UNII

  • 56PC0J2FKW

Other Registry Number

  • 97043-03-3

System Generated Number

  • 0076129163

Structure Descriptors

InChI

1S/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1

InChIKey

LNELBQZKXVASLW-AWEZNQCLSA-N

Smiles

COc1cc2CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1451ug/kg (1.451mg/kg)   Journal of Medicinal Chemistry. Vol. 24, Pg. 636, 1981.