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Substance Name: Isatidine
RN: 15503-86-3
UNII: 51819GRV4U
InChIKey: IDIMIWQPUHURPV-WTWIWYCDSA-N

Molecular Formula

  • C18-H25-N-O7

Molecular Weight

  • 367.3955
 

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

  • Isatidine

Synonyms

  • 12,18-Dihydroxysenecionan-11,16-dione 4-oxide
  • 12,18-Dihydroxysenecionan-11,16-dione-4-oxide
  • 4-27-00-06664 (Beilstein Handbook Reference)
  • BRN 0058804
  • CCRIS 4339
  • cis-Retronecic acid ester of retronecine-N-oxide
  • HSDB 3499
  • Isatidine
  • Retrorsine N-oxide
  • Retrorsine oxide
  • Retrorsine-N-oxide
  • Senecionan-11,16-dione, 12,18-dihydroxy-, 4-oxide
  • trans-15-Ethylidene-12beta-hydroxy-12alpha-hydroxymethyl-13beta-methylsenec-1-enine-4-oxide
  • UNII-51819GRV4U

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-(hydroxymethyl)-5-methyl-, 14-oxide, (3Z,5R,6S,14aR,14bR)-
  • 12,18-Dihydroxysenecionan-11,16-dione-4-oxide
  • Isatidine
  • Retrorsine, N-oxide
  • Senecionan-11,16-dione, 12,18-dihydroxy-, 4-oxide (9CI)

Superlist Name

  • Isatidine

Registry Numbers

CAS Registry Number

  • 15503-86-3

FDA UNII

  • 51819GRV4U

Other Registry Number

  • 547-04-6

System Generated Number

  • 0015503863

Structure Descriptors

InChI

1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1

InChIKey

IDIMIWQPUHURPV-WTWIWYCDSA-N

Smiles

C\C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 835mg/kg (835mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 75, Pg. 83, 1942.
rat LD50 intraperitoneal 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: OTHER CHANGES
Chemico-Biological Interactions. Vol. 5, Pg. 227, 1972.
rat LD50 oral 48mg/kg (48mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: OTHER CHANGES
Chemico-Biological Interactions. Vol. 5, Pg. 227, 1972.