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Substance Name: Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate
RN: 100857-68-9
InChIKey: KFSNTMMFEDPGOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N2-O3-P

Molecular Weight

  • 374.4183
 
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Names and Synonyms

  • Choline, inner salt, (2-(1-naphthylmethyl)-2-pyrrolin-1-yl)phosphonate

Registry Numbers

CAS Registry Number

  • 100857-68-9

System Generated Number

  • 0100857689

Structure Descriptors

InChI

1S/C20H27N2O3P/c1-22(2,3)14-15-25-26(23,24)21-13-7-11-19(21)16-18-10-6-9-17-8-4-5-12-20(17)18/h4-6,8-12H,7,13-16H2,1-3H3

InChIKey

KFSNTMMFEDPGOK-UHFFFAOYSA-N

Smiles

C[N+](C)(C)CCOP(=O)(N1CCC=C1Cc2cccc3c2cccc3)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg)   Annales Pharmaceutiques Francaises. Vol. 38, Pg. 65, 1980.