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Substance Name: Voacorine
RN: 5130-80-3
InChIKey: UIEKMUULTFWIHX-HCBMXOAHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C43-H52-N4-O6

Molecular Weight

  • 720.906
 
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Names and Synonyms

Results Name

  • Voacorine

Synonyms

  • NSC 92072
  • Voacaline
  • Voacorine

Systematic Name

  • Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-13-((3-alpha)-17-methoxy-17-oxovobasan-3-yl)-, methyl ester, (20S)-

Registry Numbers

CAS Registry Number

  • 5130-80-3

System Generated Number

  • 0005130803

Structure Descriptors

InChI

1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7+

InChIKey

UIEKMUULTFWIHX-HCBMXOAHSA-N

Smiles

[nH]1c2c(c3c1cccc3)C[C@@H]1[N@@](C\C([C@@H](C[C@@H]2c2c(cc3c(c2)[nH]c2c3CC[N@@]3[C@@H]4[C@@]2(C[C@@H](C[C@@H]4[C@@H](C)O)C3)C(OC)=O)OC)[C@@H]1C(=O)OC)=C/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Annales Pharmaceutiques Francaises. Vol. 15, Pg. 617, 1957.