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Screening compounds

Koumine

Also known as (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene, (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo(14.3.1.02,10.04,9.010,15.012,17)icosa-2,4,6,8-tetraene

CAS 1358-76-5Formula C20H22N2OMolar mass 306.41 g/molEC 111-893-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Koumine chemical structure, C20H22N2O, CAS 1358-76-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1358-76-5
Formula
C20H22N2O
Molar mass
306.41 g/mol
EC number
111-893-2
HS code
293499
Category
Screening compounds

What is Koumine?

Plain description, key identifiers and synonyms

Koumine is a chemical substance with the molecular formula C20H22N2O and a molar mass of 306.41 g/mol. Its CAS registry number is 1358-76-5. The IUPAC name is (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
CAS number
1358-76-5 CAS number cross-checked
EC number
111-893-2
Molecular formula
C20H22N2O
InChIKey
VTLYEMHGPMGUOT-XMHJOAAQSA-N
InChI
InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17-,19-,20-/m0/s1
Canonical SMILES
C=CC12CN(C)C3CC14C(=Nc1ccccc14)C1CC2C3CO1
Isomeric SMILES
CN1C[C@]2([C@@H]3C[C@H]4C5=NC6=CC=CC=C6[C@@]52C[C@H]1[C@H]3CO4)C=C

Synonyms

  • (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
  • (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo(14.3.1.02,10.04,9.010,15.012,17)icosa-2,4,6,8-tetraene

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
306.41 g/molcalc.
Exact mass
306.1732 Dacalc.
LogP (octanol/water)
2.94calc.
Topological polar surface area
24.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 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, c1ccc2c(c1)N=C1C3CC4C(CO3)C3CC12C4CN3

c1ccc2c(c1)N=C1C3CC4C(CO3)C3CC12C4CN3

7 rings, 20 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300 + H330Fatal if swallowed. Fatal if inhaled.
  • H300Fatal if swallowed.
  • H330Fatal if inhaled.
Precautionary statements (14)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Koumine suppliers

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Where suppliers are based

1 supplier in 1 country

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Koumine 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 Koumine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Koumine?

Koumine is a chemical substance with the molecular formula C20H22N2O and a molar mass of 306.41 g/mol. Its CAS registry number is 1358-76-5. The IUPAC name is (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene.

What is the CAS number of Koumine?

The CAS registry number of Koumine is 1358-76-5.

What is the molecular formula and weight of Koumine?

The molecular formula of Koumine is C20H22N2O and its molar mass is 306.41 g/mol.

What is Koumine used for?

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

Is Koumine hazardous?

Koumine carries the GHS signal word "Danger". Main hazards: fatal if swallowed. fatal if inhaled, fatal if swallowed, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Koumine?

Koumine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Koumine?

CompoundList lists 1 supplier of Koumine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Koumine?

Suppliers quote Koumine 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

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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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