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Substance Name: DL-Tyrosine, O-methyl-3-nitro-N-(1-oxooctadecyl)-, ethyl ester
RN: 116366-20-2
InChIKey: FIRXTSXJVJDDER-SANMLTNESA-N

Molecular Formula

  • C30-H50-N2-O6

Molecular Weight

  • 534.733
 
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Names and Synonyms

Synonym

  • O-Methyl-3-nitro-N-(1-oxooctadecyl)-DL-tyrosine ethyl ester

Systematic Name

  • DL-Tyrosine, O-methyl-3-nitro-N-(1-oxooctadecyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 116366-20-2

System Generated Number

  • 0116366202

Structure Descriptors

InChI

1S/C30H50N2O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(33)31-26(30(34)38-5-2)23-25-21-22-28(37-3)27(24-25)32(35)36/h21-22,24,26H,4-20,23H2,1-3H3,(H,31,33)/t26-/m0/s1

InChIKey

FIRXTSXJVJDDER-SANMLTNESA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(c(c1)[N+](=O)[O-])OC)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800mg/kg (1800mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 20, Pg. 11, 1988.