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Substance Name: Ilmofosine [USAN:INN]
RN: 83519-04-4
UNII: 5ZZK34MC3V
InChIKey: ODEDPKNSRBCSDO-UHFFFAOYSA-N

Note

  • Used in treatment of colonic adenocarcinoma in rats.

Molecular Formula

  • C26-H56-N-O5-P-S

Molecular Weight

  • 525.7704
 

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Ilmofosine
  • Ilmofosine [USAN:INN]

Synonyms

  • (+-)-Ilmofosine
  • 1-Hexadecylthio-2-methoxymethyl-rac-glycero-3-phosphocholine
  • BM 41.440
  • BM 41440
  • BRN 4767637
  • Ilmofosina
  • Ilmofosina [Spanish]
  • Ilmofosine
  • Ilmofosinum
  • Ilmofosinum [Latin]
  • SH-MM-lysolecithin
  • Thio ALP
  • UNII-5ZZK34MC3V

Systematic Names

  • 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-, (2S-(1(R*(R*)),2alpha,3abeta,7abeta))-
  • 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(methoxymethyl)-N,N,N-trimethyl-,hydroxide, inner salt, 4-oxide

Registry Numbers

CAS Registry Number

  • 83519-04-4

FDA UNII

  • 5ZZK34MC3V

Other Registry Number

  • 89315-55-9

System Generated Number

  • 0083519044

Structure Descriptors

InChI

1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3

InChIKey

ODEDPKNSRBCSDO-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 113mg/kg (113mg/kg)   Drugs of the Future. Vol. 13, Pg. 543, 1988.
mouse LD50 oral 615mg/kg (615mg/kg)   Drugs of the Future. Vol. 13, Pg. 543, 1988.
rat LD50 intraperitoneal 74mg/kg (74mg/kg)   Drugs of the Future. Vol. 13, Pg. 543, 1988.
rat LD50 oral 253mg/kg (253mg/kg)   Drugs of the Future. Vol. 13, Pg. 543, 1988.