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Screening compounds

Eschscholtzidine

Also known as (5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine, (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene, (5S,11S)-8,9-dimethoxy-14-methyl-5,6,11,12-tetrahydro-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole

CAS 6451-67-8Formula C20H21NO4Molar mass 339.39 g/mol
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Eschscholtzidine chemical structure, C20H21NO4, CAS 6451-67-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6451-67-8
Formula
C20H21NO4
Molar mass
339.39 g/mol
HS code
293499
Category
Screening compounds

What is Eschscholtzidine?

Plain description, key identifiers and synonyms

Eschscholtzidine is a heteropentacyclic isoquinoline alkaloid having a tertiary amino bridging group. It is an isoquinoline alkaloid, a tertiary amine and an organic heteropentacyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
CAS number
6451-67-8 CAS number cross-checked
Molecular formula
C20H21NO4
InChIKey
YTZIQRTXKBDFKM-HOTGVXAUSA-N
InChI
InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-/m0/s1
Canonical SMILES
COc1cc2c(cc1OC)C1Cc3cc4c(cc3C(C2)N1C)OCO4
Isomeric SMILES
CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4

Synonyms

  • (5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine
  • (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
  • (5S,11S)-8,9-dimethoxy-14-methyl-5,6,11,12-tetrahydro-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
  • (5S,11S)-8,9-Dimethoxy-14-methyl-5,6,11,12-tetrahydro-2H-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
  • 8,9-Dimethoxy-14-methyl-5,6,11,12-tetrahydro-2H-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole
  • Benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine, 5,6,11,12-tetrahydro-8,9-dimethoxy-14-methyl-, (5S,11S)-

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
339.39 g/molcalc.
Exact mass
339.1471 Dacalc.
LogP (octanol/water)
3.26calc.
Topological polar surface area
40.16 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
2calc.
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)CC1NC2Cc2cc3c(cc21)OCO3

c1ccc2c(c1)CC1NC2Cc2cc3c(cc21)OCO3

5 rings, 20 atoms.

2 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.

Eschscholtzidine suppliers

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

Frequently asked questions

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

What is Eschscholtzidine?

Eschscholtzidine is a heteropentacyclic isoquinoline alkaloid having a tertiary amino bridging group. It is an isoquinoline alkaloid, a tertiary amine and an organic heteropentacyclic compound.

What is the CAS number of Eschscholtzidine?

The CAS registry number of Eschscholtzidine is 6451-67-8.

What is the molecular formula and weight of Eschscholtzidine?

The molecular formula of Eschscholtzidine is C20H21NO4 and its molar mass is 339.39 g/mol.

What is Eschscholtzidine used for?

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

Is Eschscholtzidine hazardous?

No GHS hazard classification for Eschscholtzidine 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 Eschscholtzidine?

Eschscholtzidine 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 Eschscholtzidine?

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

What is the price of Eschscholtzidine?

Suppliers quote Eschscholtzidine 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 Eschscholtzidine

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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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