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Screening compounds

Peribogamine

Also known as Methyl (5E)-5-ethylidene-8-(ibogamin-13-yl)-2,3,4,5,6,7,8,9-octahydro-1H-2,6-methanoazecino[5,4-b]indole-14-carboxylate

CAS 66302-66-7Formula C39H46N4O2Molar mass 602.82 g/mol
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Peribogamine chemical structure, C39H46N4O2, CAS 66302-66-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66302-66-7
Formula
C39H46N4O2
Molar mass
602.82 g/mol
HS code
293399
Category
Screening compounds

What is Peribogamine?

Plain description, key identifiers and synonyms

Peribogamine is a chemical substance with the molecular formula C39H46N4O2 and a molar mass of 602.82 g/mol. Its CAS registry number is 66302-66-7. The IUPAC name is methyl (15E)-12-(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl)-15-ethylidene-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (15E)-12-(17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-yl)-15-ethylidene-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
CAS number
66302-66-7 CAS number cross-checked
Molecular formula
C39H46N4O2
InChIKey
DUPGWICOBMEVNT-FPQMYIDKSA-N
InChI
InChI=1S/C39H46N4O2/c1-4-22-14-21-15-31-36-27(12-13-43(20-21)38(22)31)26-11-10-24(16-33(26)42-36)29-17-28-23(5-2)19-40-34(35(28)39(44)45-3)18-30-25-8-6-7-9-32(25)41-37(29)30/h5-11,16,21-22,28-29,31,34-35,38,40-42H,4,12-15,17-20H2,1-3H3/b23-5-
Canonical SMILES
CC=C1CNC2Cc3c([nH]c4ccccc34)C(c3ccc4c5c([nH]c4c3)C3CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC
Isomeric SMILES
CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)NC/C7=C/C)C(=O)OC

Synonyms

  • Methyl (5E)-5-ethylidene-8-(ibogamin-13-yl)-2,3,4,5,6,7,8,9-octahydro-1H-2,6-methanoazecino[5,4-b]indole-14-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
602.82 g/molcalc.
Exact mass
602.3621 Dacalc.
LogP (octanol/water)
6.81calc.
Topological polar surface area
73.15 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
45calc.
Rings
10calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.51calc.
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.

Peribogamine suppliers

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Peribogamine 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 Peribogamine 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 Peribogamine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Peribogamine?

Peribogamine is a chemical substance with the molecular formula C39H46N4O2 and a molar mass of 602.82 g/mol. Its CAS registry number is 66302-66-7.

What is the CAS number of Peribogamine?

The CAS registry number of Peribogamine is 66302-66-7.

What is the molecular formula and weight of Peribogamine?

The molecular formula of Peribogamine is C39H46N4O2 and its molar mass is 602.82 g/mol.

What is Peribogamine used for?

Known uses and roles of Peribogamine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Peribogamine hazardous?

No GHS hazard classification for Peribogamine 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 Peribogamine?

Peribogamine 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 Peribogamine?

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

What is the price of Peribogamine?

Suppliers quote Peribogamine 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 Peribogamine

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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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