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Heterocyclic building blocks

Thalistine

CAS 75352-25-9Formula C39H44N2O8Molar mass 668.79 g/mol
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Thalistine chemical structure, C39H44N2O8, CAS 75352-25-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
75352-25-9
Formula
C39H44N2O8
Molar mass
668.79 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Thalistine?

Plain description, key identifiers and synonyms

Thalistine has been reported in Thalictrum atriplex, Thalictrum, and Thalictrum minus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CAS number
75352-25-9 CAS number cross-checked
Molecular formula
C39H44N2O8
InChIKey
OLUBXTYZCRTRJK-CONSDPRKSA-N
InChI
InChI=1S/C39H44N2O8/c1-40-15-13-26-28(20-34(44-4)38(46-6)36(26)42)31(40)18-24-9-12-32(43-3)33(19-24)49-25-10-7-23(8-11-25)17-30-29-21-35(45-5)39-37(47-22-48-39)27(29)14-16-41(30)2/h7-12,19-21,30-31,42H,13-18,22H2,1-6H3/t30-,31-/m0/s1
Canonical SMILES
COc1ccc(CC2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(CC2c3cc(OC)c4c(c3CCN2C)OCO4)cc1
Isomeric SMILES
CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CCN6C)O)OC)OC)OC)OC)OCO3

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
668.79 g/molcalc.
Exact mass
668.3098 Dacalc.
LogP (octanol/water)
6.49calc.
Topological polar surface area
91.32 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
10calc.
Heavy atoms
49calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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, c1cc(CC2NCCc3ccccc32)cc(Oc2ccc(CC3NCCc4c3ccc3c4OCO3)cc2)c1

c1cc(CC2NCCc3ccccc32)cc(Oc2ccc(CC3NCCc4c3ccc3c4OCO3)cc2)c1

7 rings, 38 atoms.

2 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.

Thalistine suppliers

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

Frequently asked questions

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

What is Thalistine?

Thalistine has been reported in Thalictrum atriplex, Thalictrum, and Thalictrum minus.

What is the CAS number of Thalistine?

The CAS registry number of Thalistine is 75352-25-9.

What is the molecular formula and weight of Thalistine?

The molecular formula of Thalistine is C39H44N2O8 and its molar mass is 668.79 g/mol.

What is Thalistine used for?

Known uses and roles of Thalistine include building blocks in research and laboratory.

Is Thalistine hazardous?

No GHS hazard classification for Thalistine 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 Thalistine?

Thalistine 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 Thalistine?

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

What is the price of Thalistine?

Suppliers quote Thalistine 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 Thalistine

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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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