Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: (1)Benzothiepino(2,3-b)pyridine, 8-(1-methylethyl)-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 51724-16-4
InChIKey: VCICSRJUUOGEAX-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3-S.C4-H4-O4.1/2H2-O

Molecular Weight

  • 467.587
 
* 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

  • 6-(4-Methylpiperazino)-8-isopropylbenzo(b)pyrido(3,2-f)thiepin maleate hemihydrate

Systematic Name

  • (1)Benzothiepino(2,3-b)pyridine, 8-(1-methylethyl)-6-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 51724-16-4

System Generated Number

  • 0051724164

Molecular Formulas

Molecular Formula

  • C21-H25-N3-S.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C21-H25-N3-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25N3S.C4H4O4/c1-15(2)16-6-7-20-18(13-16)19(24-11-9-23(3)10-12-24)14-17-5-4-8-22-21(17)25-20;5-3(6)1-2-4(7)8/h4-8,13-15H,9-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

VCICSRJUUOGEAX-BTJKTKAUSA-N

Smiles

c12C(N3CC[NH+](C)CC3)=Cc3cccnc3Sc1ccc(C(C)C)c2.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 237mg/kg (237mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2778, 1973.