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Substance Name: 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate
RN: 4219-99-2
InChIKey: JUAUECHEOQXPLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H39-N-O.C6-H8-O7

Molecular Weight

  • 513.667
 
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Names and Synonyms

Synonym

  • 1,5-Dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-1-pentanone citrate

Systematic Name

  • 1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate

Registry Numbers

CAS Registry Number

  • 4219-99-2

System Generated Number

  • 0004219992

Molecular Formulas

Molecular Formula

  • C21-H39-N-O.C6-H8-O7

Molecular Formula Fragments

  • C21-H39-N-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C21H39NO.C6H8O7/c1-21(2,16-15-19(23)17-11-7-5-8-12-17)20(22(3)4)18-13-9-6-10-14-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h17-18,20H,5-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

JUAUECHEOQXPLO-UHFFFAOYSA-N

Smiles

C(C1CCCCC1)(CCC([C@@H](N(C)C)C1CCCCC1)(C)C)=O.C(C(CC(=O)O)(C(=O)O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 187, 1966.