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Substance Name: 2-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, (E)-2- butenedioate (2:1) (salt)
RN: 53073-95-3
InChIKey: LXCHEMYOTVCYEC-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H44-N4-O6.C4-H4-O4

Molecular Weight

  • 672.7712
 
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Names and Synonyms

Synonyms

  • 1-(2-(1,4-Benzodioxanyl)methyl)-4-(2-hydroxyethyl)piperazine hemifumarate
  • CRL 40040

Systematic Name

  • 2-Piperazineethanol, 4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, (E)-2- butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 53073-95-3

System Generated Number

  • 0053073953

Molecular Formulas

Molecular Formula

  • C30-H44-N4-O6.C4-H4-O4

Molecular Formula Fragments

  • C30-H44-N4-O6
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H22N2O3.C4H4O4/c2*18-8-5-12-9-17(7-6-16-12)10-13-11-19-14-3-1-2-4-15(14)20-13;5-3(6)1-2-4(7)8/h2*1-4,12-13,16,18H,5-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

LXCHEMYOTVCYEC-WXXKFALUSA-N

Smiles

c1ccc2c(c1)OCC(O2)CN3CCNC(C3)CCO.c1ccc2c(c1)OCC(O2)CN3CCNC(C3)CCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 97mg/kg (97mg/kg)   United States Patent Document. Vol. #3959283,