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Substance Name: BN 52211
RN: 136533-74-9
InChIKey: IMBDJLSSCGCJMU-UHFFFAOYSA-N

Note

  • A newly synthesized aza alkyl lysophosplipid of MW 536.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H61-N2-O5-P

Molecular Weight

  • 536.773
 
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Names and Synonyms

Name of Substance

  • BN 52211

Synonym

  • BN 52211

Systematic Name

  • 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N,9-tetramethyl-, hydroxide, inner salt, 4-oxide

Registry Numbers

CAS Registry Number

  • 136533-74-9

System Generated Number

  • 0136533749

Structure Descriptors

InChI

1S/C28H61N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(2)26-28(33-6)27-35-36(31,32)34-25-24-30(3,4)5/h28H,7-27H2,1-6H3

InChIKey

IMBDJLSSCGCJMU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Anticancer Research. Vol. 11, Pg. 2223, 1991.