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Substance Name: Isotrilobine
RN: 26195-62-0
UNII: WIB21F188O
InChIKey: SVMNNRZZJAFEJM-NSOVKSMOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H36-N2-O5

Molecular Weight

  • 576.6894
 
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Names and Synonyms

Name of Substance

  • Isotrilobine

Synonyms

  • (+)-Isotrilobine
  • Homotrilobin
  • Homotrilobine
  • Isotrilobin
  • N,O-Dimethylcocsoline
  • UNII-WIB21F188O

Systematic Names

  • Isotrilobine
  • Oxyacanthan, 6',7-epoxy-6,12'-dimethoxy-2,2'-dimethyl-, (1'-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 26195-62-0

FDA UNII

  • WIB21F188O

System Generated Number

  • 0026195620

Structure Descriptors

InChI

1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28-/m0/s1

InChIKey

SVMNNRZZJAFEJM-NSOVKSMOSA-N

Smiles

COc1ccc2C[C@@H]3N(C)CCc4cc5Oc6c(OC)cc7CCN(C)[C@@H](Cc8ccc(Oc1c2)cc8)c7c6Oc5cc34

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 2413, 1976.