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Heterocyclic building blocks

Voacamine

Also known as Voacanginine, 12-Methoxy-13-((3alpha)-17-methoxy-17-oxovobasan-3-yl)ibogamine-18-carboxylic acid methyl ester, Ibogamine-18-carboxylic acid, 12-methoxy-13-((3alpha)-17-methoxy-17-oxovobasan-3-yl)-, methyl ester

CAS 3371-85-5Formula C43H52N4O5Molar mass 704.91 g/molEC 222-151-3
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Voacamine chemical structure, C43H52N4O5, CAS 3371-85-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3371-85-5
Formula
C43H52N4O5
Molar mass
704.91 g/mol
EC number
222-151-3
HS code
293399
Category
Heterocyclic building blocks

What is Voacamine?

Plain description, key identifiers and synonyms

Voacamine is a citraconoyl group.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
CAS number
3371-85-5 CAS number cross-checked
EC number
222-151-3
Molecular formula
C43H52N4O5
InChIKey
VCMIRXRRQJNZJT-XRMSBCOFSA-N
InChI
InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28-,31+,35+,37?,40-,43+/m0/s1
Canonical SMILES
CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3CC4CC(CC)C3C5(C(=O)OC)C4)CC1C2C(=O)OC
Isomeric SMILES
CC[C@H]1C[C@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)[C@H]6C[C@@H]\7C([C@@H](CC8=C6NC9=CC=CC=C89)N(C/C7=C/C)C)C(=O)OC)C(=O)OC

Synonyms

  • Voacanginine
  • 12-Methoxy-13-((3alpha)-17-methoxy-17-oxovobasan-3-yl)ibogamine-18-carboxylic acid methyl ester
  • Ibogamine-18-carboxylic acid, 12-methoxy-13-((3alpha)-17-methoxy-17-oxovobasan-3-yl)-, methyl ester
  • 12-methoxy-13-((3 alpha)-17-methoxy-17-oxovobasan-3-yl)ibogamine-18-carboxylic acid methyl ester
  • Vocamine
  • Methyl 12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate
  • Methyl-12-methoxy-13-(17-methoxy-17-oxovobasan-3alpha-yl)ibogamine-18-carboxylate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
704.91 g/molcalc.
Exact mass
704.3938 Dacalc.
LogP (octanol/water)
6.49calc.
Topological polar surface area
99.89 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
52calc.
Rings
10calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1CNC2Cc3c([nH]c4ccccc34)C(c3ccc4c5c([nH]c4c3)C3CC4CCC3N(CC5)C4)CC1C2

C=C1CNC2Cc3c([nH]c4ccccc34)C(c3ccc4c5c([nH]c4c3)C3CC4CCC3N(CC5)C4)CC1C2

10 rings, 38 atoms.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Voacamine suppliers

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Voacamine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Voacamine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Voacamine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Voacamine, based on the data on this page

What is Voacamine?

Voacamine is a citraconoyl group.

What is the CAS number of Voacamine?

The CAS registry number of Voacamine is 3371-85-5.

What is the molecular formula and weight of Voacamine?

The molecular formula of Voacamine is C43H52N4O5 and its molar mass is 704.91 g/mol.

What is Voacamine used for?

Known uses and roles of Voacamine include building blocks in research and laboratory.

Is Voacamine hazardous?

No GHS hazard classification for Voacamine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Voacamine?

Voacamine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Voacamine?

Post a free request on CompoundList and suppliers of Voacamine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Voacamine?

Suppliers quote Voacamine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Voacamine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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