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Substance Name: Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)
RN: 156693-34-4
InChIKey: APRZNKGAGXRWHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O2.C7-H8-O3-S

Molecular Weight

  • 502.6722
 
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Names and Synonyms

  • Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, mono(4-methylbenzenesulfonate)

Registry Numbers

CAS Registry Number

  • 156693-34-4

System Generated Number

  • 0156693344

Molecular Formulas

Molecular Formula

  • C20-H30-N2-O2.C7-H8-O3-S

Molecular Formula Fragments

  • C20-H30-N2-O2
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30N2O2.C7H8O3S/c1-3-5-6-7-11-21-20(23)24-16-8-9-17-18(14-16)15-10-12-22(4-2)19(17)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,14-15,19H,3-7,10-13H2,1-2H3,(H,21,23);2-5H,1H3,(H,8,9,10)

InChIKey

APRZNKGAGXRWHB-UHFFFAOYSA-N

Smiles

CCCCCCNC(=O)Oc1ccc2c(c1)C3CCN(C2C3)CC.Cc1ccc(cc1)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 9mg/kg (9mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 1996, 1994.