Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Decanoic acid, 2-(4-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)
RN: 65999-44-2
InChIKey: UPTLAINSKJFPFC-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H40-Cl-F-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 779.3182
 
* 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

Synonym

  • VUFB-12390

Systematic Name

  • Decanoic acid, 2-(4-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl ester, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 65999-44-2

System Generated Number

  • 0065999442

Molecular Formulas

Molecular Formula

  • C30-H40-Cl-F-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C30-H40-Cl-F-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H40ClFN2O2S.2C4H4O4/c1-2-3-4-5-6-7-8-9-30(35)36-19-18-33-14-16-34(17-15-33)27-20-23-10-12-25(32)22-29(23)37-28-13-11-24(31)21-26(27)28;2*5-3(6)1-2-4(7)8/h10-13,21-22,27H,2-9,14-20H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

UPTLAINSKJFPFC-LVEZLNDCSA-N

Smiles

CCCCCCCCCC(=O)OCCN1CCN(CC1)C2c3c(ccc(c3)Cl)Sc4c(ccc(c4)F)C2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 3079, 1977.