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Substance Name: 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-
RN: 63978-64-3
InChIKey: YCVQMQUVPRRJEC-UHFFFAOYSA-N

Classification Code

  • Human Data

Molecular Formula

  • C7-H8-Cl6-O3

Molecular Weight

  • 352.855
 
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Names and Synonyms

Synonyms

  • 2,7-Bis(trichloromethyl)-4-methyl-1,3,6-trioxepane
  • 4-19-00-04721 (Beilstein Handbook Reference)
  • BRN 0156178
  • SC-1781

Systematic Name

  • 1,3,6-Trioxepane, 2,7-bis (trichloromethyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 63978-64-3

System Generated Number

  • 0063978643

Structure Descriptors

InChI

1S/C7H8Cl6O3/c1-3-2-14-4(6(8,9)10)16-5(15-3)7(11,12)13/h3-5H,2H2,1H3

InChIKey

YCVQMQUVPRRJEC-UHFFFAOYSA-N

Smiles

O1[C@@H](C(Cl)(Cl)Cl)O[C@@H](C)CO[C@@H]1C(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 3600mg/kg (3600mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 10, Pg. 294, 1951.