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Substance Name: BN 52208
RN: 136533-78-3
InChIKey: DDTNMALHFGFFMI-UHFFFAOYSA-N

Note

  • A newly synthesized aza alkyl lysophospholipid of MW 579.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H62-N3-O6-P

Molecular Weight

  • 579.798
 
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Names and Synonyms

Name of Substance

  • BN 52208

Synonym

  • BN 52208

Systematic Names

  • 4,7,9-Trioxa-2-aza-8-phophaundecan-11-aminium, 8-hydroxy-5-((methyloctadecylamino)methyl-3-oxo-N,N,N-trimethyl-, hydroxide, inner salt, 8-oxide
  • 4,7,9-Trioxa-2-aza-8-phosphaundecan-11-aminium, 8-hydroxy-N,N,N-trimethyl-5-((methyloctadecylamino)methyl)-3-oxo-, hydroxide, inner salt, 8-oxide

Registry Numbers

CAS Registry Number

  • 136533-78-3

System Generated Number

  • 0136533783

Structure Descriptors

InChI

1S/C29H62N3O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31(3)26-28(38-29(33)30-2)27-37-39(34,35)36-25-24-32(4,5)6/h28H,7-27H2,1-6H3,(H-,30,33,34,35)

InChIKey

DDTNMALHFGFFMI-UHFFFAOYSA-N

Smiles

CNC(O[C@@H](COP(OCC[N+](C)(C)C)([O-])=O)C[N@@](CCCCCCCCCCCCCCCCCC)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Anticancer Research. Vol. 11, Pg. 2223, 1991.