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Substance Name: MG 18335 2HCl
RN: 63698-39-5
InChIKey: RTHVRJCTKMOQIE-UPHDPLKASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H43-F2-N3-O.2Cl-H

Molecular Weight

  • 632.6625
 
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Names and Synonyms

Results Name

  • MG 18335 2HCl

Synonym

  • M.G. 18335-2HCl

Systematic Name

  • Acetamide, 2-(4-(4,4-bis(p-fluorophenyl)butyl)piperazinyl)-N-methyl- N-(4'-phenylcyclohexyl)-, dihydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 63698-39-5

System Generated Number

  • 0063698395

Molecular Formulas

Molecular Formula

  • C35-H43-F2-N3-O.2Cl-H

Molecular Formula Fragments

  • C35-H43-F2-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H43F2N3O.2ClH/c1-38-35(41)26-39-21-24-40(25-22-39,33-19-13-28(14-20-33)27-6-3-2-4-7-27)23-5-8-34(29-9-15-31(36)16-10-29)30-11-17-32(37)18-12-30;;/h2-4,6-7,9-12,15-18,24,28,33-34H,5,8,13-14,19-23,25-26H2,1H3,(H,38,41);2*1H/t28-,33-,40?;;

InChIKey

RTHVRJCTKMOQIE-UPHDPLKASA-N

Smiles

CNC(=O)CN1CC=N(CC1)([C@H]2CC[C@@H](CC2)c3ccccc3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 72mg/kg (72mg/kg)   Farmaco, Edizione Scientifica. Vol. 32, Pg. 461, 1977.