Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazinecarboxylic acid, 4-(2-ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-, ethyl ester, (Z)-2-butenedioate (1:1)
RN: 61325-89-1
InChIKey: PFCBDSYJZDAJEB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-F-N4-O2-S.C4-H4-O4

Molecular Weight

  • 518.5633
 
* 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

  • 1-Piperazinecarboxylic acid, 4-(2-ethyl-7-fluoro-10H-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-, ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 61325-89-1

System Generated Number

  • 0061325891

Molecular Formulas

Molecular Formula

  • C20-H23-F-N4-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H23-F-N4-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23FN4O2S.C4H4O4/c1-3-14-12-15-18(24-7-9-25(10-8-24)20(26)27-4-2)22-17-11-13(21)5-6-16(17)23-19(15)28-14;5-3(6)1-2-4(7)8/h5-6,11-12,23H,3-4,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PFCBDSYJZDAJEB-WLHGVMLRSA-N

Smiles

CCc1cc2c(s1)Nc3ccc(cc3N=C2N4CCN(CC4)C(=O)OCC)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 878, 1980.