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Substance Name: Benzamide, N-(3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazol-6-yl)-, (Z)-2-butenedioate (1:1)
RN: 145815-96-9
InChIKey: AMMRIUKESPEPJU-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-N3-O2.C4-H4-O4

Molecular Weight

  • 555.6277
 
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Names and Synonyms

Synonym

  • N-(3-(2-(1-Benzyl-4-piperidinyl)ethyl)-1,2-benzisoxazol-6-yl)benzamide maleate

Systematic Name

  • Benzamide, N-(3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazol-6-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 145815-96-9

System Generated Number

  • 0145815969

Molecular Formulas

Molecular Formula

  • C28-H29-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C28-H29-N3-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H29N3O2.C4H4O4/c32-28(23-9-5-2-6-10-23)29-24-12-13-25-26(30-33-27(25)19-24)14-11-21-15-17-31(18-16-21)20-22-7-3-1-4-8-22;5-3(6)1-2-4(7)8/h1-10,12-13,19,21H,11,14-18,20H2,(H,29,32);1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

AMMRIUKESPEPJU-BTJKTKAUSA-N

Smiles

c1ccc(cc1)CN2CCC(CC2)CCc3c4ccc(cc4on3)NC(=O)c5ccccc5.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 2721, 1994.