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Substance Name: Acetamide, N-((1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-4-piperidyl)methyl)-, hydrochloride, hydrate (2:2:1)
RN: 6076-60-4
InChIKey: AMLMIKYBPQUBLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H37-N3-O.Cl-H.1/2H2-O

Molecular Weight

  • 504.114
 
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Names and Synonyms

  • Acetamide, N-((1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-4-piperidyl)methyl)-, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 6076-60-4

System Generated Number

  • 0006076604

Molecular Formulas

Molecular Formula

  • C31-H37-N3-O.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C31-H37-N3-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C31H37N3O.ClH/c1-25(35)32-24-31(28-12-3-2-4-13-28)18-22-33(23-19-31)20-9-21-34-29-14-7-5-10-26(29)16-17-27-11-6-8-15-30(27)34;/h2-8,10-15H,9,16-24H2,1H3,(H,32,35);1H

InChIKey

AMLMIKYBPQUBLW-UHFFFAOYSA-N

Smiles

C(C)(=O)NCC1(CCN(CC1)CCCN1c2c(CCc3c1cccc3)cccc2)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 644, 1970.