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Substance Name: Salicylic acid, 4-(N(sup 2)-(1,3-dihydroxy-2-(p-nitrophenyl)-2-propyl)oxamido)-, D-threo-, (-)-
RN: 76508-92-4
InChIKey: SMSSBVJWYKNVPK-UKRRQHHQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N3-O9

Molecular Weight

  • 419.3443
 
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Names and Synonyms

  • Benzoic acid, 2-hydroxy-4-((((2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)amino)oxoacetyl)amino)-, (R-(R*,R*))-
  • Salicylic acid, 4-(N(sup 2)-(1,3-dihydroxy-2-(p-nitrophenyl)-2-propyl)oxamido)-, D-threo-, (-)-

Registry Numbers

CAS Registry Number

  • 76508-92-4

System Generated Number

  • 0076508924

Structure Descriptors

InChI

1S/C18H17N3O9/c22-8-13(15(24)9-1-4-11(5-2-9)21(29)30)20-17(26)16(25)19-10-3-6-12(18(27)28)14(23)7-10/h1-7,13,15,22-24H,8H2,(H,19,25)(H,20,26)(H,27,28)/t13-,15-/m1/s1

InChIKey

SMSSBVJWYKNVPK-UKRRQHHQSA-N

Smiles

c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(=O)Nc2ccc(c(c2)O)C(=O)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1833mg/kg (1833mg/kg)   Pharmazie. Vol. 35, Pg. 394, 1980.