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Substance Name: 4-Quinolinol, decahydro-1-(3-(4-fluorophenoxy)propyl)-, carbamate (ester), (4-alpha,4a-beta,8a-alpha)-
RN: 78778-28-6
InChIKey: DAKMLVVJCCEMRF-QDZFIJTISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-F-N2-O3

Molecular Weight

  • 366.4303
 
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Names and Synonyms

Synonym

  • 4-Carbamoyloxy-1-(3-(4-fluorophenoxy)propyl)-trans-decahydroquinoline (axial form)

Systematic Name

  • 4-Quinolinol, decahydro-1-(3-(4-fluorophenoxy)propyl)-, carbamate (ester), (4-alpha,4a-beta,8a-alpha)-

Registry Numbers

CAS Registry Number

  • 78778-28-6

System Generated Number

  • 0078778286

Structure Descriptors

InChI

1S/C19H27FN2O4/c20-13-7-9-15(10-8-13)26-11-3-4-14-12-18(23)16-5-1-2-6-17(16)22(14)21-19(24)25/h7-10,14,16-18,21,23H,1-6,11-12H2,(H,24,25)/t14?,16-,17-,18+/m1/s1

InChIKey

DAKMLVVJCCEMRF-QDZFIJTISA-N

Smiles

c1cc(ccc1OCCCC2C[C@@H]([C@@H]3CCCC[C@H]3N2NC(=O)O)O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 84100ug/kg (84.1mg/kg)   United States Patent Document. Vol. #4332805,
mouse LD50 intravenous 42500ug/kg (42.5mg/kg)   United States Patent Document. Vol. #4332805,
mouse LD50 oral 750mg/kg (750mg/kg)   United States Patent Document. Vol. #4332805,
rat LD50 intravenous 47mg/kg (47mg/kg)   United States Patent Document. Vol. #4332805,
rat LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4332805,