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Substance Name: Bicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, 4-nitrobenzoate (ester)
RN: 17170-68-2
InChIKey: KYQHATFNXQXRPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N2-O4

Molecular Weight

  • 386.489
 
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Names and Synonyms

Synonyms

  • 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, p-nitrobenzoate (ester)
  • 3-(1-Pyrrolidinylmethyl)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-ol 4-nitrobenzoate (ester)
  • BRN 1405395
  • p-Nitrobenzoato di 3-pirrolidinometil-2-bornanolo
  • p-Nitrobenzoato di 3-pirrolidinometil-2-bornanolo [Italian]

Systematic Name

  • Bicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, 4-nitrobenzoate (ester)

Registry Numbers

CAS Registry Number

  • 17170-68-2

System Generated Number

  • 0017170682

Structure Descriptors

InChI

1S/C22H30N2O4/c1-21(2)18-10-11-22(21,3)19(17(18)14-23-12-4-5-13-23)28-20(25)15-6-8-16(9-7-15)24(26)27/h6-9,17-19H,4-5,10-14H2,1-3H3

InChIKey

KYQHATFNXQXRPC-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)[N+](=O)[O-])(=O)O[C@@H]1[C@@H]([C@@H]2CC[C@@]1(C2(C)C)C)CN1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 60mg/kg (60mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: ATAXIA
Farmaco, Edizione Scientifica. Vol. 22, Pg. 121, 1967.