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Substance Name: 5-Benzoxazoleacetic acid, 2-(4-iodophenyl)-alpha-methyl-
RN: 51234-74-3
InChIKey: RHILVRBEZGPKBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-I-N-O3

Molecular Weight

  • 393.175
 
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Names and Synonyms

Synonyms

  • 2-(4-Iodophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • BRN 1085081

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51234-74-3

System Generated Number

  • 0051234743

Structure Descriptors

InChI

1S/C16H12INO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)

InChIKey

RHILVRBEZGPKBY-UHFFFAOYSA-N

Smiles

c12c(oc(n1)c1ccc(I)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.