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Substance Name: 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-
RN: 51234-92-5
InChIKey: YLUWIWDPTZHXQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-N2-O5

Molecular Weight

  • 312.28
 
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Names and Synonyms

Synonyms

  • alpha-Methyl-2-(4-nitrophenyl)-5-benzoxazoleacetic acid
  • BRN 1089200

Systematic Name

  • 5-Benzoxazoleacetic acid, alpha-methyl-2-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 51234-92-5

System Generated Number

  • 0051234925

Structure Descriptors

InChI

1S/C16H12N2O5/c1-9(16(19)20)11-4-7-14-13(8-11)17-15(23-14)10-2-5-12(6-3-10)18(21)22/h2-9H,1H3,(H,19,20)

InChIKey

YLUWIWDPTZHXQS-UHFFFAOYSA-N

Smiles

c12c(oc(n1)c1ccc([N+](=O)[O-])cc1)ccc(c2)[C@@H](C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.