CompoundList
Sign in
Screening compounds

Echitamine

Also known as Ditaine, (E,6R)-9-((2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl)-2,3,6-trimethyl-non-3-en-5-one, Echitamine ion

CAS 6871-44-9Formula C22H29N2O4+Molar mass 385.48 g/molEC 229-968-4
Get quotes Safety data
Echitamine chemical structure, C22H29N2O4+, CAS 6871-44-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6871-44-9
Formula
C22H29N2O4+
Molar mass
385.48 g/mol
EC number
229-968-4
HS code
293399
Category
Screening compounds

What is Echitamine?

Plain description, key identifiers and synonyms

echitamine has been reported in Alstonia scholaris, Alstonia boonei, and Alstonia rostrata.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,9R,10S,12S,13E,15S,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate
CAS number
6871-44-9
EC number
229-968-4
Molecular formula
C22H29N2O4+
UNII
OTH5TH48VK
InChIKey
AFJPGVUCVDCFPM-BBFZNYENSA-N
InChI
InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24-/m0/s1
Canonical SMILES
CC=C1C[N+]2(C)CCC34c5ccccc5NC32C(O)CC1C4(CO)C(=O)OC
Isomeric SMILES
C/C=C\1/C[N@@+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45)C

Synonyms

  • Ditaine
  • (E,6R)-9-((2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl)-2,3,6-trimethyl-non-3-en-5-one
  • Echitamine ion
  • Echitamine cation
  • 2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, (3-beta,16R)-

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
385.48 g/molcalc.
Exact mass
385.2122 Dacalc.
LogP (octanol/water)
1.39calc.
Topological polar surface area
78.79 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
28calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
1calc.
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, C=C1CN2CCC34CC1CCC23Nc1ccccc14

C=C1CN2CCC34CC1CCC23Nc1ccccc14

6 rings, 19 atoms.

9 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.

Echitamine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Echitamine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Echitamine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is Echitamine?

echitamine has been reported in Alstonia scholaris, Alstonia boonei, and Alstonia rostrata.

What is the CAS number of Echitamine?

The CAS registry number of Echitamine is 6871-44-9.

What is the molecular formula and weight of Echitamine?

The molecular formula of Echitamine is C22H29N2O4+ and its molar mass is 385.48 g/mol.

What is Echitamine used for?

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

Is Echitamine hazardous?

No GHS hazard classification for Echitamine 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 Echitamine?

Echitamine 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 Echitamine?

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

What is the price of Echitamine?

Suppliers quote Echitamine 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 Echitamine

Get quotes for Echitamine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Echitamine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Echitamine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/echitamine-6871-44-9" title="Echitamine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293399

Price on request
Free quotes, contact stays private
Get quotes