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Substance Name: Coniine
RN: 458-88-8
UNII: C479P32L2D
InChIKey: NDNUANOUGZGEPO-QMMMGPOBSA-N

Note

  • Alkaloid isolated from Conium maculatum L.; properties as an analgesics, antineuralgic, & teratogen.

Molecular Formula

  • C8-H17-N

Molecular Weight

  • 127.2293
 

Classification Codes

  • Natural Product
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Coniine

Synonyms

  • (+)-Coniine
  • (S)-(+)-Coniine
  • (S)-2-Propylpiperidine
  • (S)-beta-Propylpiperidine
  • (S)-Coniine
  • 5-20-04-00205 (Beilstein Handbook Reference)
  • BRN 0079906
  • Cicutin
  • Cicutine
  • Conicine
  • Coniin
  • Coniine
  • d-Conicine
  • EINECS 207-282-6
  • HSDB 3474
  • Koniin
  • Piperidine, 2-propyl-, (S)-
  • UNII-C479P32L2D

Systematic Names

  • Coniine
  • Piperidine, 2-propyl-, (2S)-
  • Piperidine, 2-propyl-, (S)-

Registry Numbers

CAS Registry Number

  • 458-88-8

FDA UNII

  • C479P32L2D

System Generated Number

  • 0000458888

Structure Descriptors

InChI

1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1

InChIKey

NDNUANOUGZGEPO-QMMMGPOBSA-N

Smiles

[C@@H]1(CCCCN1)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 3mg/kg (3mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 35, Pg. 316, 1936.
dog LDLo intravenous 25mg/kg (25mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948.
frog LDLo unreported 375mg/kg (375mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 595, 1948.
guinea pig LDLo subcutaneous 50mg/kg (50mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 593, 1948.
mouse LD50 intravenous 19mg/kg (19mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 1, 1963.
mouse LD50 oral 100mg/kg (100mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 1, 1963.
mouse LD50 subcutaneous 80mg/kg (80mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacy and Pharmacology. Vol. 15, Pg. 1, 1963.
rabbit LDLo intravenous 15mg/kg (15mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 588, 1948.
rabbit LDLo subcutaneous 80mg/kg (80mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 7, Pg. 128, 1933.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+00 deg C   EXP
Boiling Point 166.5 deg C   EXP
pKa Dissociation Constant 11 (none)   EXP
log P (octanol-water) 2.590 (none)   EST
Water Solubility 1.80E+04 mg/L   EXP
Vapor Pressure 0.693 mm Hg 25 EST
Henry's Law Constant 4.01E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.