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Basic information

  • Name:
  • 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, (7S,7aR,14S,14aS)-

  • Superlist Name:
  • Sparteine
  • CAS No.:
  • 90-39-1

  • Molecular Structure:
  • Formula:
  • C15H26N2
  • Molecular Weight:
  • 234.43
  • Deleted CAS:
  • 21156-83-2
  • Synonyms:
  • 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine,dodecahydro-, [7S-(7a,7aa,14a,14ab)]-;Sparteine (6CI,8CI);(-)-Sparteine;6b,7a,9a,11a-Pachycarpine;Lupinidin;Lupinidine;Spartein;l-Sparteine;
  • EINECS:
  • 201-988-8
  • Density:
  • 1.08 g/cm3
  • Boiling Point:
  • 340.9 °C at 760 mmHg
  • Flash Point:
  • 148.3 °C
  • Hazard Symbols:
  • HarmfulXn
  • Risk Codes:
  • 20/21/22
  • Safety Description:
  • 36 Details

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Specification

The Sparteine is an organic compound with the formula C15H26N2. The systematic name of this chemical is sparteine. With the CAS registry number 90-39-1, it is also named as 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-. The product's categories are Alkaloids; Alkaloids (Others); Biochemistry. Besides, it should be stored in a closed cool and dry place. It is used as a chiral base in organic chemistry, and as a ligand in organic synthesis.

Physical properties about Sparteine are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): -0.85; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.84; (8)#H bond acceptors: 2; (9)Polar Surface Area: 6.48 Å2; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 71 cm3; (12)Molar Volume: 216.3 cm3; (13)Polarizability: 28.14×10-24cm3; (14)Surface Tension: 44 dyne/cm; (15)Density: 1.08 g/cm3; (16)Flash Point: 148.3 °C; (17)Enthalpy of Vaporization: 58.45 kJ/mol; (18)Boiling Point: 340.9 °C at 760 mmHg; (19)Vapour Pressure: 8.34E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N12CC3C4N(CC(C1CCCC2)C3)CCCC4
(2)InChI: InChI=1/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2
(3)InChIKey: SLRCCWJSBJZJBV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2
(5)Std. InChIKey: SLRCCWJSBJZJBV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 15mg/kg (15mg/kg)   Veterinary and Human Toxicology. Vol. 41, Pg. 33, 1999.
frog LDLo intramuscular 1665mg/kg (1665mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
frog LDLo subcutaneous 3330mg/kg (3330mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
guinea pig LDLo intraperitoneal 23mg/kg (23mg/kg)   Journal of Agricultural Research Vol. 32, Pg. 51, 1926.
guinea pig LDLo intravenous 27mg/kg (27mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Planta Medica. Vol. 50, Pg. 420, 1984.
mouse LD50 intraperitoneal 36mg/kg (36mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Planta Medica. Vol. 50, Pg. 420, 1984.
mouse LD50 oral 220mg/kg (220mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Planta Medica. Vol. 50, Pg. 420, 1984.
mouse LD50 subcutaneous 105mg/kg (105mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 21, Pg. 468, 1958.
pigeon LDLo subcutaneous 86mg/kg (86mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
rabbit LDLo intravenous 30mg/kg (30mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1398, 1935.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 589, 1948.
rat LD50 intraperitoneal 42mg/kg (42mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 oral 960mg/kg (960mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 210, Pg. 27, 1974.

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