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Heterocyclic compounds

Fansimef

Also known as Mefloquine-sulfadoxine-pyrimethamine, MSP 4, Fansimef R

CAS 69191-18-0Formula C41H44Cl2F6N10O5SMolar mass 973.83 g/mol
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Fansimef chemical structure, C41H44Cl2F6N10O5S, CAS 69191-18-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69191-18-0
Formula
C41H44Cl2F6N10O5S
Molar mass
973.83 g/mol
HS code
293349
Category
Heterocyclic compounds

What is Fansimef?

Plain description, key identifiers and synonyms

Fansimef is a chemical substance with the molecular formula C41H44Cl2F6N10O5S and a molar mass of 973.83 g/mol. Its CAS registry number is 69191-18-0. The IUPAC name is 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol, 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol, 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine, hydrochloride
CAS number
69191-18-0
Molecular formula
C41H44Cl2F6N10O5S
InChIKey
HQWQVBJUIIJTRE-LKRNKTNVSA-N
InChI
InChI=1S/C17H16F6N2O.C12H13ClN4.C12H14N4O4S.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9;/h3-5,8,12,15,24,26H,1-2,6-7H2;3-6H,2H2,1H3,(H4,14,15,16,17);3-7H,13H2,1-2H3,(H,14,15,16);1H/t12-,15+;;;/m1.../s1
Canonical SMILES
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC.Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
Isomeric SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N.C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl

Synonyms

  • Mefloquine-sulfadoxine-pyrimethamine
  • MSP 4
  • Fansimef R
  • Mefloquine hydrochloride combination with sulfadoxine and pyrimethamine

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
973.83 g/molcalc.
Exact mass
972.2498 Dacalc.
LogP (octanol/water)
8.27calc.
Topological polar surface area
239.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
9calc.
Heavy atoms
65calc.
Rings
7calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
4calc.
Lipinski rule of five
Fails (4 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(CC3CCCCN3)ccnc2c1

c1ccc2c(CC3CCCCN3)ccnc2c1

3 rings, 17 atoms.

24 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.

Fansimef suppliers

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Fansimef 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Fansimef is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Fansimef is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Fansimef?

Fansimef is a chemical substance with the molecular formula C41H44Cl2F6N10O5S and a molar mass of 973.83 g/mol. Its CAS registry number is 69191-18-0.

What is the CAS number of Fansimef?

The CAS registry number of Fansimef is 69191-18-0.

What is the molecular formula and weight of Fansimef?

The molecular formula of Fansimef is C41H44Cl2F6N10O5S and its molar mass is 973.83 g/mol.

Is Fansimef hazardous?

No GHS hazard classification for Fansimef 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 Fansimef?

Fansimef is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Fansimef?

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What is the price of Fansimef?

Suppliers quote Fansimef 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 Fansimef

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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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