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Screening compounds

Echitovenidine

Also known as methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate, Aspidospermidine-3-carboxylic acid, 2,3-didehydro-20-((3-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (5-alpha,12-beta,19-alpha,20R)-, Methyl 20-[(3-methylbut-2-enoyl)oxy]-2,3-didehydroaspidospermidine-3-carboxylate

CAS 7222-35-7Formula C26H32N2O4Molar mass 436.55 g/mol
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Echitovenidine chemical structure, C26H32N2O4, CAS 7222-35-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7222-35-7
Formula
C26H32N2O4
Molar mass
436.55 g/mol
HS code
293399
Category
Screening compounds

What is Echitovenidine?

Plain description, key identifiers and synonyms

Echitovenidine is a chemical substance with the molecular formula C26H32N2O4 and a molar mass of 436.55 g/mol. Its CAS registry number is 7222-35-7. The IUPAC name is methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
CAS number
7222-35-7 CAS number cross-checked
Molecular formula
C26H32N2O4
InChIKey
JJCJKGZUGDPHMN-RURBMAKNSA-N
InChI
InChI=1S/C26H32N2O4/c1-16(2)14-21(29)32-17(3)25-10-7-12-28-13-11-26(24(25)28)19-8-5-6-9-20(19)27-22(26)18(15-25)23(30)31-4/h5-6,8-9,14,17,24,27H,7,10-13,15H2,1-4H3/t17?,24-,25-,26-/m0/s1
Canonical SMILES
COC(=O)C1=C2Nc3ccccc3C23CCN2CCCC(C(C)OC(=O)C=C(C)C)(C1)C23
Isomeric SMILES
CC([C@@]12CCCN3[C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)OC(=O)C=C(C)C

Synonyms

  • methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
  • Aspidospermidine-3-carboxylic acid, 2,3-didehydro-20-((3-methyl-1-oxo-2-butenyl)oxy)-, methyl ester, (5-alpha,12-beta,19-alpha,20R)-
  • Methyl 20-[(3-methylbut-2-enoyl)oxy]-2,3-didehydroaspidospermidine-3-carboxylate
  • Methyl 20-[(3-methylbut-2-enoyl)oxy]-12beta,19alpha-2,3-didehydroaspidospermidine-3-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
436.55 g/molcalc.
Exact mass
436.2362 Dacalc.
LogP (octanol/water)
3.93calc.
Topological polar surface area
67.87 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1=C2Nc3ccccc3C23CCN2CCCC(C1)C23

C1=C2Nc3ccccc3C23CCN2CCCC(C1)C23

5 rings, 19 atoms.

13 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.

Echitovenidine suppliers

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

Frequently asked questions

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

What is Echitovenidine?

Echitovenidine is a chemical substance with the molecular formula C26H32N2O4 and a molar mass of 436.55 g/mol. Its CAS registry number is 7222-35-7. The IUPAC name is methyl (1R,12R,19R)-12-[1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate.

What is the CAS number of Echitovenidine?

The CAS registry number of Echitovenidine is 7222-35-7.

What is the molecular formula and weight of Echitovenidine?

The molecular formula of Echitovenidine is C26H32N2O4 and its molar mass is 436.55 g/mol.

What is Echitovenidine used for?

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

Is Echitovenidine hazardous?

No GHS hazard classification for Echitovenidine 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 Echitovenidine?

Echitovenidine 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 Echitovenidine?

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

What is the price of Echitovenidine?

Suppliers quote Echitovenidine 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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