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Screening compounds

Deoxythalidastine

Also known as (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol, (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol

CAS 51856-80-5Formula C19H16NO4+Molar mass 322.34 g/mol
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Deoxythalidastine chemical structure, C19H16NO4+, CAS 51856-80-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51856-80-5
Formula
C19H16NO4+
Molar mass
322.34 g/mol
HS code
293499
Category
Screening compounds

What is Deoxythalidastine?

Plain description, key identifiers and synonyms

Deoxythalidastine has been reported in Thalictrum dasycarpum, Thalictrum lucidum, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol
CAS number
51856-80-5
Molecular formula
C19H16NO4+
InChIKey
DCAGNUUPNPXUJK-INIZCTEOSA-N
InChI
InChI=1S/C19H16NO4/c1-22-17-4-2-3-11-5-15-12-6-18-19(24-10-23-18)7-13(12)16(21)9-20(15)8-14(11)17/h2-8,16,21H,9-10H2,1H3/q+1/t16-/m0/s1
Canonical SMILES
COc1cccc2cc3[n+](cc12)CC(O)c1cc2c(cc1-3)OCO2
Isomeric SMILES
COC1=CC=CC2=CC3=[N+](C[C@@H](C4=CC5=C(C=C43)OCO5)O)C=C21

Synonyms

  • (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol
  • (11R)-16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-11-ol

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
322.34 g/molcalc.
Exact mass
322.1074 Dacalc.
LogP (octanol/water)
2.58calc.
Topological polar surface area
51.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
1calc.
Stereocentres
1calc.
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[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2

c1ccc2c[n+]3c(cc2c1)-c1cc2c(cc1CC3)OCO2

5 rings, 21 atoms.

40 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.

Deoxythalidastine suppliers

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

Frequently asked questions

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

What is Deoxythalidastine?

Deoxythalidastine has been reported in Thalictrum dasycarpum, Thalictrum lucidum, and other organisms.

What is the CAS number of Deoxythalidastine?

The CAS registry number of Deoxythalidastine is 51856-80-5.

What is the molecular formula and weight of Deoxythalidastine?

The molecular formula of Deoxythalidastine is C19H16NO4+ and its molar mass is 322.34 g/mol.

What is Deoxythalidastine used for?

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

Is Deoxythalidastine hazardous?

No GHS hazard classification for Deoxythalidastine 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 Deoxythalidastine?

Deoxythalidastine 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 Deoxythalidastine?

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

What is the price of Deoxythalidastine?

Suppliers quote Deoxythalidastine 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 Deoxythalidastine

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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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