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Substance Name: Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)nitrosoamino)-
RN: 20943-47-9
InChIKey: JJGXBEBQMPGBRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-O5

Molecular Weight

  • 342.349
 
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Names and Synonyms

Synonyms

  • 1'-Butyl 2,4'-nitrosiminodibenzoate
  • 2-((4-(Butoxycarbonyl)phenyl)nitrosoamino)benzoic acid
  • BRN 1827549
  • ITF 615

Systematic Names

  • Benzoic acid, 2,4'-nitrosiminodi-, 1'-butyl ester (8CI)
  • Benzoic acid, 2-((4-(butoxycarbonyl)phenyl)nitrosoamino)-

Registry Numbers

CAS Registry Number

  • 20943-47-9

System Generated Number

  • 0020943479

Structure Descriptors

InChI

1S/C18H18N2O5/c1-2-3-12-25-18(23)13-8-10-14(11-9-13)20(19-24)16-7-5-4-6-15(16)17(21)22/h4-11H,2-3,12H2,1H3,(H,21,22)

InChIKey

JJGXBEBQMPGBRI-UHFFFAOYSA-N

Smiles

C(c1c(cccc1)N(N=O)c1ccc(cc1)C(=O)OCCCC)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 26, Pg. 191, 1971.