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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-8-methyl-, (Z)-2-butenedioate (1:1)
RN: 37589-28-9
InChIKey: SVKBSGCYMWRVKM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-S2.C4-H4-O4

Molecular Weight

  • 498.665
 
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Names and Synonyms

  • 3,8-Diazabicyclo(3.2.1)octane, 3-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-8-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 37589-28-9

System Generated Number

  • 0037589289

Molecular Formulas

Molecular Formula

  • C22-H26-N2-S2.C4-H4-O4

Molecular Formula Fragments

  • C22-H26-N2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2S2.C4H4O4/c1-23-16-7-8-17(23)14-24(13-16)20-11-15-5-3-4-6-21(15)26-22-10-9-18(25-2)12-19(20)22;5-3(6)1-2-4(7)8/h3-6,9-10,12,16-17,20H,7-8,11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

SVKBSGCYMWRVKM-WLHGVMLRSA-N

Smiles

CN1C2CCC1CN(C2)C3Cc4ccccc4Sc5c3cc(cc5)SC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 398mg/kg (398mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 4074, 1971.