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Substance Name: 2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-6-styryl-, hemihydrate
RN: 67031-44-1
InChIKey: DHVRAALNXOGREY-YEQYBQBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O2.1/2H2-O

Molecular Weight

  • 576.689
 
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Names and Synonyms

Synonyms

  • 2H-1,5-Benzoxazocine, 3,4-dihydro-3-hydroxy-6-styryl-, hemihydrate
  • 3,4-Dihydro-3-hydroxy-6-styryl-1,5-benzoxazocine hemihydrate

Systematic Name

  • 2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-6-styryl-, hemihydrate

Registry Numbers

CAS Registry Number

  • 67031-44-1

System Generated Number

  • 0067031441

Molecular Formulas

Molecular Formula

  • C18-H17-N-O2.1/2H2-O

Molecular Formula Fragments

  • C18-H17-N-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C18H17NO2.H2O/c2*20-15-12-19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15;/h2*1-11,15,20H,12-13H2;1H2/b2*11-10+,19-17-;

InChIKey

DHVRAALNXOGREY-YEQYBQBKSA-N

Smiles

c12C(\C=C\c3ccccc3)=NC[C@@H](O)COc1cccc2.c12C(\C=C\c3ccccc3)=NC[C@@H](O)COc1cccc2.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 403, 1970.