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Substance Name: 2H-1,4-Benzoxazin-3(4H)-one, 7-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-2,2,4-trimethyl-, (E)-
RN: 123172-64-5
InChIKey: LQCQXGKWFYMWIN-IZZDOVSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H19-N-O4

Molecular Weight

  • 337.3731
 
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Names and Synonyms

Synonyms

  • (E)-7-(3-(4-Hydroxyphenyl)-1-oxo-2-propenyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3(4H)-one
  • BRN 5984275

Systematic Name

  • 2H-1,4-Benzoxazin-3(4H)-one, 7-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-2,2,4-trimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 123172-64-5

System Generated Number

  • 0123172645

Structure Descriptors

InChI

1S/C20H19NO4/c1-20(2)19(24)21(3)16-10-7-14(12-18(16)25-20)17(23)11-6-13-4-8-15(22)9-5-13/h4-12,22H,1-3H3/b11-6+

InChIKey

LQCQXGKWFYMWIN-IZZDOVSWSA-N

Smiles

CC1(C(=O)N(c2ccc(cc2O1)C(=O)/C=C/c3ccc(cc3)O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 55, 1989.