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Heterocyclic compounds

Pancoxin plus

CAS 59988-99-7Formula C52H59Cl2N13O6SMolar mass 1,065.10 g/mol
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Pancoxin plus chemical structure, C52H59Cl2N13O6S, CAS 59988-99-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
59988-99-7
Formula
C52H59Cl2N13O6S
Molar mass
1,065.10 g/mol
HS code
293590
Category
Heterocyclic compounds

What is Pancoxin plus?

Plain description, key identifiers and synonyms

Pancoxin plus is a chemical substance with the molecular formula C52H59Cl2N13O6S and a molar mass of 1,065.10 g/mol. Its CAS registry number is 59988-99-7. The IUPAC name is 4-amino-N-quinoxalin-2-ylbenzenesulfonamide, 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine, methyl 4-acetamido-2-ethoxybenzoate, 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine, chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-N-quinoxalin-2-ylbenzenesulfonamide, 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine, methyl 4-acetamido-2-ethoxybenzoate, 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine, chloride
CAS number
59988-99-7
Molecular formula
C52H59Cl2N13O6S
InChIKey
IVQOXVNMZGHYTN-UHFFFAOYSA-M
InChI
InChI=1S/C14H12N4O2S.C14H19N4.C12H13ClN4.C12H15NO4.ClH/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3;/h1-9H,15H2,(H,17,18);4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H4,14,15,16,17);5-7H,4H2,1-3H3,(H,13,14);1H/q;+1;;;/p-1
SMILES (canonical and isomeric)
CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC.C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N.[Cl-]

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
1,065.10 g/molcalc.
Exact mass
1,063.3809 Dacalc.
LogP (octanol/water)
5.03calc.
Topological polar surface area
296.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
13calc.
Heavy atoms
74calc.
Rings
8calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
5calc.
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, O=S(=O)(Nc1cnc2ccccc2n1)c1ccccc1

O=S(=O)(Nc1cnc2ccccc2n1)c1ccccc1

3 rings, 20 atoms.

91 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.

Pancoxin plus suppliers

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Pancoxin plus 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 Pancoxin plus is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pancoxin plus, based on the data on this page

What is Pancoxin plus?

Pancoxin plus is a chemical substance with the molecular formula C52H59Cl2N13O6S and a molar mass of 1,065.10 g/mol. Its CAS registry number is 59988-99-7.

What is the CAS number of Pancoxin plus?

The CAS registry number of Pancoxin plus is 59988-99-7.

What is the molecular formula and weight of Pancoxin plus?

The molecular formula of Pancoxin plus is C52H59Cl2N13O6S and its molar mass is 1,065.10 g/mol.

Is Pancoxin plus hazardous?

No GHS hazard classification for Pancoxin plus 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 Pancoxin plus?

Pancoxin plus is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pancoxin plus?

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What is the price of Pancoxin plus?

Suppliers quote Pancoxin plus 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 Pancoxin plus

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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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