Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(4-(4-(2-(3,4-dimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)-5-methoxyphenyl)-, (E)-2-butenedioate (1:2)
RN: 86135-85-5
InChIKey: UEJZFCOFCAHFME-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H43-N3-O5-S.2C4-H4-O4

Molecular Weight

  • 837.9389
 
* 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

  • Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(4-(4-(2-(3,4-dimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)-5-methoxyphenyl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 86135-85-5

System Generated Number

  • 0086135855

Molecular Formulas

Molecular Formula

  • C34-H43-N3-O5-S.2C4-H4-O4

Molecular Formula Fragments

  • C34-H43-N3-O5-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C34H43N3O5S.2C4H4O4/c1-25(38)37-29-9-5-6-10-33(29)43-34(37)28-24-27(39-2)12-14-30(28)42-22-8-7-16-35-18-20-36(21-19-35)17-15-26-11-13-31(40-3)32(23-26)41-4;2*5-3(6)1-2-4(7)8/h5-6,9-14,23-24,34H,7-8,15-22H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

UEJZFCOFCAHFME-LVEZLNDCSA-N

Smiles

CC(=O)N1C(Sc2c1cccc2)c3c(ccc(c3)OC)OCCCCN4CCN(CC4)CCc5cc(c(cc5)OC)OC.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
rat LD50 oral 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #4479949,