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Heterocyclic building blocks

Deanxit

Also known as 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine, 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol, flupentixol - melitracen

CAS 76391-77-0Formula C44H50F3N3OSMolar mass 725.97 g/mol
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Deanxit chemical structure, C44H50F3N3OS, CAS 76391-77-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76391-77-0
Formula
C44H50F3N3OS
Molar mass
725.97 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Deanxit?

Plain description, key identifiers and synonyms

Deanxit is a chemical substance with the molecular formula C44H50F3N3OS and a molar mass of 725.97 g/mol. Its CAS registry number is 76391-77-0. The IUPAC name is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine, 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine, 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
CAS number
76391-77-0
Molecular formula
C44H50F3N3OS
InChIKey
NECXFGBJNUZGBH-RZFZGDDESA-N
InChI
InChI=1S/C23H25F3N2OS.C21H25N/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h1-2,4-8,16,29H,3,9-15H2;5-8,10-14H,9,15H2,1-4H3/b18-5+;
Canonical SMILES
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21.OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
Isomeric SMILES
CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C.C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO

Synonyms

  • 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine, 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
  • flupentixol - melitracen

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
725.97 g/molcalc.
Exact mass
725.3627 Dacalc.
LogP (octanol/water)
9.31calc.
Topological polar surface area
29.95 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
52calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
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, C(CCN1CCNCC1)=C1c2ccccc2Sc2ccccc21

C(CCN1CCNCC1)=C1c2ccccc2Sc2ccccc21

4 rings, 23 atoms.

67 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.

Deanxit suppliers

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

All 13 suppliers
13 of 13 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

13 suppliers in 2 countries

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Deanxit 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.

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

Frequently asked questions

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

What is Deanxit?

Deanxit is a chemical substance with the molecular formula C44H50F3N3OS and a molar mass of 725.97 g/mol. Its CAS registry number is 76391-77-0. The IUPAC name is 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine, 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol.

What is the CAS number of Deanxit?

The CAS registry number of Deanxit is 76391-77-0.

What is the molecular formula and weight of Deanxit?

The molecular formula of Deanxit is C44H50F3N3OS and its molar mass is 725.97 g/mol.

What is Deanxit used for?

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

Is Deanxit hazardous?

No GHS hazard classification for Deanxit 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 Deanxit?

Deanxit 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 Deanxit?

CompoundList lists 13 suppliers of Deanxit in Bangladesh and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Deanxit in India?

1 supplier in India list Deanxit on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Deanxit?

Suppliers quote Deanxit 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 Deanxit

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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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