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Substance Name: Tropine (p-nitrophenyl)acetate hydrochloride
RN: 136-68-5
InChIKey: NSTZBRWSQQAOEP-UHFFFAOYSA-N

Molecular Formula

  • C16-H20-N2-O4.Cl-H

Molecular Weight

  • 340.805
 
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Names and Synonyms

Results Name

  • Tropine (p-nitrophenyl)acetate hydrochloride

Synonyms

  • 3-alpha-Tropine-p-nitrophenylacetate hydrochloride
  • 3-Tropanyl p-nitrophenylacetate, hydrochloride
  • Acetic acid, (p-nitrophenyl)-, tropan-3-yl ester, hydrochloride
  • Tropine (p-nitrophenyl)acetate HCl
  • Tropine (p-nitrophenyl)acetate hydrochloride

Systematic Names

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, p-nitrophenylacetate, monohydrochloride
  • Acetic acid, (p-nitrophenyl)-, 1alphaH,5alphaH-tropan-3alpha-yl ester, monohydrochloride
  • Benzeneacetic acid, 4-nitro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, monohydrochloride, endo-

Registry Numbers

CAS Registry Number

  • 136-68-5

System Generated Number

  • 0000136685

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O4.Cl-H

Molecular Formula Fragments

  • C16-H20-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H20N2O4.ClH/c1-17-13-6-7-14(17)10-15(9-13)22-16(19)8-11-2-4-12(5-3-11)18(20)21;/h2-5,13-15H,6-10H2,1H3;1H

InChIKey

NSTZBRWSQQAOEP-UHFFFAOYSA-N

Smiles

Cl.C1[C@@H]2C[C@@H](C[C@@H](C1)N2C)OC(Cc1ccc([N+]([O-])=O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 40mg/kg (40mg/kg) AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 6, Pg. 676, 1964.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03453,