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Substance Name: Aspidospermine
RN: 466-49-9
UNII: U1475W62Q5
InChIKey: ARQOGCYMPUOVHK-ZHHKINOHSA-N

Note

  • An indole fused to a qunoline; isolated from Aspidosperma tree.

Classification Code

  • Natural Product

Molecular Formula

  • C22-H30-N2-O2

Molecular Weight

  • 354.491
 
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Names and Synonyms

Name of Substance

  • Aspidospermine

Synonyms

  • (-)-Aspidospermine
  • 1-Acetyl-17-methoxyaspidospermidine
  • 5-23-12-00210 (Beilstein Handbook Reference)
  • Aspidospermin
  • BRN 0048882
  • EINECS 207-376-7
  • NSC 19508
  • UNII-U1475W62Q5

Systematic Names

  • Aspidospermidine, 1-acetyl-17-methoxy- (8CI,9CI)
  • Aspidospermine

Registry Numbers

CAS Registry Number

  • 466-49-9

FDA UNII

  • U1475W62Q5

System Generated Number

  • 0000466499

Structure Descriptors

InChI

1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1

InChIKey

ARQOGCYMPUOVHK-ZHHKINOHSA-N

Smiles

CC[C@@]12CCCN3CC[C@@]4([C@@H](CC1)N(C(=O)C)c5c(OC)cccc45)[C@@H]23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 208 deg C   EXP
log P (octanol-water) 3.680 (none)   EST
Water Solubility 1.67E+04 mg/L   EXP
Atmospheric OH Rate Constant 8.23E-11 cm3/molecule-sec 25 EST

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