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Impurities and reference standards

Esermethole

Also known as (-)-Esermethole, (3aS,8aR)-5-methoxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole, (3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

CAS 65166-97-4Formula C14H20N2OMolar mass 232.33 g/mol
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Esermethole chemical structure, C14H20N2O, CAS 65166-97-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65166-97-4
Formula
C14H20N2O
Molar mass
232.33 g/mol
HS code
293399
Category
Impurities and reference standards

What is Esermethole?

Plain description, key identifiers and synonyms

Esermethole is a chemical substance with the molecular formula C14H20N2O and a molar mass of 232.33 g/mol. Its CAS registry number is 65166-97-4. The IUPAC name is (3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CAS number
65166-97-4 CAS number cross-checked
Molecular formula
C14H20N2O
InChIKey
WKJDLYATGMSVOQ-KGLIPLIRSA-N
InChI
InChI=1S/C14H20N2O/c1-14-7-8-15(2)13(14)16(3)12-6-5-10(17-4)9-11(12)14/h5-6,9,13H,7-8H2,1-4H3/t13-,14+/m1/s1
Canonical SMILES
COc1ccc2c(c1)C1(C)CCN(C)C1N2C
Isomeric SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC)C)C

Synonyms

  • (-)-Esermethole
  • (3aS,8aR)-5-methoxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
  • (3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
  • Perindopril Impurity 13
  • (3aS,8aR)-1,2,3,3a,8,8a-Hexahydro-5-methoxy-1,3a,8-trimethylpyrrolo[2,3-b]indole, (-)-Eseroline Methyl Ether, (-)-O-Methyleseroline, NSC 340070,

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
232.33 g/molcalc.
Exact mass
232.1576 Dacalc.
LogP (octanol/water)
2.06calc.
Topological polar surface area
15.71 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
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)NC1NCCC21

c1ccc2c(c1)NC1NCCC21

3 rings, 12 atoms.

69 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.

Esermethole suppliers

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Esermethole 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Esermethole?

Esermethole is a chemical substance with the molecular formula C14H20N2O and a molar mass of 232.33 g/mol. Its CAS registry number is 65166-97-4. The IUPAC name is (3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

What is the CAS number of Esermethole?

The CAS registry number of Esermethole is 65166-97-4.

What is the molecular formula and weight of Esermethole?

The molecular formula of Esermethole is C14H20N2O and its molar mass is 232.33 g/mol.

Is Esermethole hazardous?

No GHS hazard classification for Esermethole 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 Esermethole?

Esermethole 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 Esermethole?

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What is the price of Esermethole?

Suppliers quote Esermethole 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 Esermethole

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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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