Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, trifluoro-, compd. with (+-)-5,6,7,8-tetrahydro-10-hydroxy-2-methoxy-3H-7,12b-methanodibenz(c,e)azocin-3-one hydrate (4:4:1)
RN: 75370-52-4
InChIKey: LMWDZSCFQPQMML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C2-H-F3-O2.C17-H17-N-O3.1/4H2-O

Molecular Weight

  • 397.3472
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Acetic acid, trifluoro-, compd. with (+-)-5,6,7,8-tetrahydro-10-hydroxy-2-methoxy-3H-7,12b-methanodibenz(c,e)azocin-3-one hydrate (4:4:1)

Registry Numbers

CAS Registry Number

  • 75370-52-4

System Generated Number

  • 0075370524

Molecular Formulas

Molecular Formula

  • C2-H-F3-O2.C17-H17-N-O3.1/4H2-O

Molecular Formula Fragments

  • C17-H17-N-O3
  • C2-H-F3-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H17NO3.C2HF3O2/c1-21-16-8-17-7-12(18-9-11(17)6-15(16)20)4-10-5-13(19)2-3-14(10)17;3-2(4,5)1(6)7/h2-3,5-6,8,12,18-19H,4,7,9H2,1H3;(H,6,7)

InChIKey

LMWDZSCFQPQMML-UHFFFAOYSA-N

Smiles

COC1=CC23CC(Cc4c2ccc(c4)O)NCC3=CC1=O.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   European Patent Application. Vol. #0011483,