WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 558523

CAS#: 82-55-3

Description: Iboxygaine is discontinued (DEA controlled substance). It is a natural psychoactive substance used to ease withdrawal and prevent cravings.

Chemical Structure

CAS# 82-55-3

Theoretical Analysis

MedKoo Cat#: 558523
Name: Iboxygaine
CAS#: 82-55-3
Chemical Formula: C20H26N2O2
Exact Mass: 326.2
Molecular Weight: 326.44
Elemental Analysis: C, 73.59; H, 8.03; N, 8.58; O, 9.80

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Pricing updated 2021-03-05. Prices are subject to change without notice.

Iboxygaine is discontinued (DEA controlled substance).

Synonym: Iboxygaine; Kimvuline;

IUPAC/Chemical Name: (S)-1-((6R,6aR,7R,9S,11S)-2-methoxy-6,6a,7,8,9,10,12,13-octahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indol-7-yl)ethan-1-ol


InChi Code: InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3/t11-,12+,15-,17-,20-/m0/s1

SMILES Code: C[C@@H]([C@@H]1C[C@@]2([H])C[N@]3[C@]1([H])[C@](C2)([H])C(N4)=C(CC3)C5=C4C=CC(OC)=C5)O

Solid powder

>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Soluble in DMSO

Shelf Life:
>3 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:

Handling Instructions:

Preparing Stock Solutions

The following data is based on the product molecular weight 326.44 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Perera P, Samuelsson G, van Beek TA, Verpoorte R. Tertiary indole alkaloids from leaves of Tabernaemontana dichotoma. Planta Med. 1983 Mar;47(3):148-50. PubMed PMID: 17404903.

2: RENNER U, PRINS DA. [Voacanga alkaloids. III. Voacristine: identity with voacangarine and decomposition to iboxygaine and ibogaine]. Experientia. 1959 Dec 15;15:456-7. German. PubMed PMID: 14437366.