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Isotope-labelled compounds

Probenecid-d14

Also known as 4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid, Probenecid-d14 (di-n-propyl-d14), TMID-0602

CAS 1189657-87-1Formula C13H19NO4SMolar mass 299.45 g/mol
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Probenecid-d14 chemical structure, C13H19NO4S, CAS 1189657-87-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1189657-87-1
Formula
C13H19NO4S
Molar mass
299.45 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Probenecid-d14?

Plain description, key identifiers and synonyms

Probenecid-d14 is a chemical substance with the molecular formula C13H19NO4S and a molar mass of 299.45 g/mol. Its CAS registry number is 1189657-87-1. The IUPAC name is 4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid
CAS number
1189657-87-1
Molecular formula
C13H19NO4S
MDL number
MFCD10566004
InChIKey
DBABZHXKTCFAPX-YTSTUSJFSA-N
InChI
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)/i1D3,2D3,3D2,4D2,9D2,10D2
Canonical SMILES
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
Isomeric SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])S(=O)(=O)C1=CC=C(C=C1)C(=O)O

Synonyms

  • 4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid
  • Probenecid-d14 (di-n-propyl-d14)
  • TMID-0602

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
299.45 g/molcalc.
Exact mass
299.1914 Dacalc.
LogP (octanol/water)
2.2calc.
Topological polar surface area
74.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Probenecid-d14 suppliers

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Probenecid-d14 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 Probenecid-d14 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Probenecid-d14 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Probenecid-d14, based on the data on this page

What is Probenecid-d14?

Probenecid-d14 is a chemical substance with the molecular formula C13H19NO4S and a molar mass of 299.45 g/mol. Its CAS registry number is 1189657-87-1. The IUPAC name is 4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid.

What is the CAS number of Probenecid-d14?

The CAS registry number of Probenecid-d14 is 1189657-87-1.

What is the molecular formula and weight of Probenecid-d14?

The molecular formula of Probenecid-d14 is C13H19NO4S and its molar mass is 299.45 g/mol.

What is Probenecid-d14 used for?

Known uses and roles of Probenecid-d14 include isotope-labelled compounds in research and laboratory.

Is Probenecid-d14 hazardous?

No GHS hazard classification for Probenecid-d14 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 Probenecid-d14?

Probenecid-d14 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Probenecid-d14?

Post a free request on CompoundList and suppliers of Probenecid-d14 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Probenecid-d14?

Suppliers quote Probenecid-d14 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 Probenecid-d14

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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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