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Screening compounds

Echitamine hydroxide

Also known as Echitamine, hydroxide, 2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, hydroxide, (3beta,16R)-

CAS 464-20-0Formula C22H30N2O5Molar mass 402.49 g/mol
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Echitamine hydroxide chemical structure, C22H30N2O5, CAS 464-20-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
464-20-0
Formula
C22H30N2O5
Molar mass
402.49 g/mol
HS code
293399
Category
Screening compounds

What is Echitamine hydroxide?

Plain description, key identifiers and synonyms

Echitamine hydroxide is a chemical substance with the molecular formula C22H30N2O5 and a molar mass of 402.49 g/mol. Its CAS registry number is 464-20-0. The IUPAC name is 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 hydroxide.

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 hydroxide
CAS number
464-20-0
Molecular formula
C22H30N2O5
UNII
R1ZC0A109N
InChIKey
QKJSAKQRGDMLMG-CPPNUAKTSA-M
InChI
InChI=1S/C22H29N2O4.H2O/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;1H2/q+1;/p-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.[OH-]
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.[OH-]

Synonyms

  • Echitamine, hydroxide
  • 2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, hydroxide, (3beta,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
402.49 g/molcalc.
Exact mass
402.2155 Dacalc.
LogP (octanol/water)
1.21calc.
Topological polar surface area
108.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
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, 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 hydroxide suppliers

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

Frequently asked questions

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

What is Echitamine hydroxide?

Echitamine hydroxide is a chemical substance with the molecular formula C22H30N2O5 and a molar mass of 402.49 g/mol. Its CAS registry number is 464-20-0.

What is the CAS number of Echitamine hydroxide?

The CAS registry number of Echitamine hydroxide is 464-20-0.

What is the molecular formula and weight of Echitamine hydroxide?

The molecular formula of Echitamine hydroxide is C22H30N2O5 and its molar mass is 402.49 g/mol.

What is Echitamine hydroxide used for?

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

Is Echitamine hydroxide hazardous?

No GHS hazard classification for Echitamine hydroxide 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 hydroxide?

Echitamine hydroxide 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 hydroxide?

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What is the price of Echitamine hydroxide?

Suppliers quote Echitamine hydroxide 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 hydroxide

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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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