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Substance Name: Seneciphylline
RN: 480-81-9
UNII: 0ZYZ9L5454
InChIKey: FCEVNJIUIMLVML-QPSVUOIXSA-N

Molecular Formula

  • C18-H23-N-O5

Molecular Weight

  • 333.3817
 

Classification Codes

Classification Codes

  • Mutation Data
  • Natural Product
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Seneciphylline

Synonyms

  • 13,19-Didehydro-12-hydroxysenecionan-11,16-dione
  • CCRIS 4336
  • HSDB 5188
  • Jacodine
  • NCI-C61165
  • NSC 30622
  • Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-
  • Seneciphyllin
  • Seneciphylline
  • Seniciphylline
  • trans-15-Ethylidene-12beta-hydroxy-12alpha-methyl-13-methylenesenec-1-enine
  • UNII-0ZYZ9L5454

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-6-methyl-5-methylene-, (3Z,6R,14aR,14bR)-
  • 13,19-Didehydro-12-hydroxysenecionan-11,16-dione
  • Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy- (9CI)
  • Seneciphylline

Superlist Name

  • Seneciphylline

Registry Numbers

CAS Registry Number

  • 480-81-9

FDA UNII

  • 0ZYZ9L5454

System Generated Number

  • 0000480819

Structure Descriptors

InChI

1S/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1

InChIKey

FCEVNJIUIMLVML-QPSVUOIXSA-N

Smiles

C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg) BLOOD: "LYMPHOMA, INCLUDING HODGKIN'S DISEASE"

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Research Today. Vol. 5, Pg. 53, 1949.
mouse LD50 oral 150mg/kg (150mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(11), Pg. 64, 1980.
rat LD50 intraperitoneal 77mg/kg (77mg/kg)   Pharmazie. Vol. 49, Pg. 934, 1994.
rat LD50 intravenous 80mg/kg (80mg/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.
rat LD50 oral 77mg/kg (77mg/kg)   Toxicology Letters. Vol. 15, Pg. 19, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 217.5 deg C   EXP
log P (octanol-water) -1.880 (none)   EST
Atmospheric OH Rate Constant 2.03E-10 cm3/molecule-sec 25 EST

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