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Substance Name: VUFB-10114
RN: 62618-60-4
InChIKey: ZGSVWLFDZAHUNW-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O-S.x-C4-H4-O4

Molecular Weight

  • 468.571
 
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Names and Synonyms

Results Name

  • VUFB-10114

Synonyms

  • 1-(10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)ethanone maleate
  • 11-(4-Methylpiperazinocarbonylmethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate
  • VUFB-10114

Systematic Name

  • Ethanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate

Registry Numbers

CAS Registry Number

  • 62618-60-4

System Generated Number

  • 0062618604

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O-S.x-C4-H4-O4

Molecular Formula Fragments

  • C21-H24-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2OS.C4H4O4/c1-15(24)16-7-8-21-18(13-16)19(23-11-9-22(2)10-12-23)14-17-5-3-4-6-20(17)25-21;5-3(6)1-2-4(7)8/h3-8,13,19H,9-12,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZGSVWLFDZAHUNW-BTJKTKAUSA-N

Smiles

c12[C@@H](N3CCN(CC3)C)Cc3c(Sc1ccc(c2)C(=O)C)cccc3.C(\C=C/C(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 62mg/kg (62mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2689, 1979.