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Substance Name: 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitro-3- (trifluoromethyl)phenoxy)-, cis-
RN: 72575-56-5
InChIKey: RCWDYEBPBUXFGL-LIRRHRJNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-F3-N2-O3

Molecular Weight

  • 394.3909
 
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Names and Synonyms

  • 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitro-3- (trifluoromethyl)phenoxy)-, cis-

Registry Numbers

CAS Registry Number

  • 72575-56-5

System Generated Number

  • 0072575565

Structure Descriptors

InChI

1S/C20H21F3N2O3/c1-24(2)14-8-7-13-5-3-4-6-16(13)19(11-14)28-15-9-10-18(25(26)27)17(12-15)20(21,22)23/h3-6,9-10,12,14,19H,7-8,11H2,1-2H3/t14-,19-/m0/s1

InChIKey

RCWDYEBPBUXFGL-LIRRHRJNSA-N

Smiles

CN(C)[C@H]1CCc2ccccc2[C@H](C1)Oc3ccc(c(c3)C(F)(F)F)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   European Patent Application. Vol. #0002156,