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Substance Name: Senecionine
RN: 130-01-8
UNII: BO6N1U5YG6
InChIKey: HKODIGSRFALUTA-JTLQZVBZSA-N

Classification Codes

  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C18-H25-N-O5

Molecular Weight

  • 335.3975
 
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Names and Synonyms

Name of Substance

  • Senecionine

Synonyms

  • 12-Hydroxysenecionan-11,16-dione
  • AI3-51771
  • Aureine
  • BRN 0934445
  • CCRIS 4340
  • HSDB 3535
  • NSC 89935
  • Senecionan-11,16-dione, 12-hydroxy-
  • Senecionin
  • Senecionine
  • UNII-BO6N1U5YG6

Systematic Names

  • (1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, (3Z,5R,6R,14aR,14bR)-
  • 12-Hydroxysenecionan-11,16-dione
  • Senecionan-11,16-dione, 12-hydroxy-
  • Senecionine

Registry Numbers

CAS Registry Number

  • 130-01-8

FDA UNII

  • BO6N1U5YG6

Other Registry Numbers

  • 11002-70-3
  • 11024-76-3

System Generated Number

  • 0000130018

Structure Descriptors

InChI

1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1

InChIKey

HKODIGSRFALUTA-JTLQZVBZSA-N

Smiles

C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 intravenous 61mg/kg (61mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BLOOD: "LYMPHOMA, INCLUDING HODGKIN'S DISEASE"
Research Today. Vol. 5, Pg. 53, 1949.
mouse LD50 intravenous 64mg/kg (64mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 75, Pg. 69, 1942.
rat LD50 intravenous 41200ug/kg (41.2mg/kg) LIVER: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 382, 1946.
rat LD50 oral 85mg/kg (85mg/kg)   Toxicology Letters. Vol. 15, Pg. 19, 1983.
rat LD50 unreported 40mg/kg (40mg/kg)   Cancer Research. Vol. 28, Pg. 2237, 1968.
rat LDLo intraperitoneal 33mg/kg (33mg/kg) LIVER: OTHER CHANGES Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 236 deg C   EXP
log P (octanol-water) -0.880 (none)   EST
Atmospheric OH Rate Constant 1.60E-10 cm3/molecule-sec 25 EST

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