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Screening compounds

Pentoprilat

Also known as Cgs 13934, 1-(4-Carboxy-2-methylpentanoyl)-2,3-dihydroindole-2-carboxylic acid, (2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid

CAS 82950-75-2Formula C16H19NO5Molar mass 305.33 g/mol
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Pentoprilat chemical structure, C16H19NO5, CAS 82950-75-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82950-75-2
Formula
C16H19NO5
Molar mass
305.33 g/mol
HS code
293399
Category
Screening compounds

What is Pentoprilat?

Plain description, key identifiers and synonyms

Pentoprilat is a chemical substance with the molecular formula C16H19NO5 and a molar mass of 305.33 g/mol. Its CAS registry number is 82950-75-2. The IUPAC name is (2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CAS number
82950-75-2
Molecular formula
C16H19NO5
UNII
6F679R1PVJ
InChIKey
QYGJWRUSSRDNLQ-BREBYQMCSA-N
InChI
InChI=1S/C16H19NO5/c1-9(7-10(2)15(19)20)14(18)17-12-6-4-3-5-11(12)8-13(17)16(21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t9-,10-,13+/m1/s1
Canonical SMILES
CC(CC(C)C(=O)N1c2ccccc2CC1C(=O)O)C(=O)O
Isomeric SMILES
C[C@H](C[C@@H](C)C(=O)O)C(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)O

Synonyms

  • Cgs 13934
  • 1-(4-Carboxy-2-methylpentanoyl)-2,3-dihydroindole-2-carboxylic acid
  • (2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
  • 1H-Indole-1-pentanoic acid, 2-carboxy-2,3-dihydro-.alpha..gamma-dimethyl-delta-oxo-, (.alpha.r,.gamma.r,2S)-
  • 1H-Indole-1-pentanoic acid, 2-carboxy-2,3-dihydro-alpha,gamma-dimethyl-delta-oxo-, (2S-(1(alphaS*,gammaS*),2R*))-

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
305.33 g/molcalc.
Exact mass
305.1263 Dacalc.
LogP (octanol/water)
1.78calc.
Topological polar surface area
94.91 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc2c(c1)CCN2

c1ccc2c(c1)CCN2

2 rings, 9 atoms, the Indoline ring system.

4,463 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.

Pentoprilat suppliers

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Pentoprilat 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 Pentoprilat is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pentoprilat?

Pentoprilat is a chemical substance with the molecular formula C16H19NO5 and a molar mass of 305.33 g/mol. Its CAS registry number is 82950-75-2. The IUPAC name is (2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid.

What is the CAS number of Pentoprilat?

The CAS registry number of Pentoprilat is 82950-75-2.

What is the molecular formula and weight of Pentoprilat?

The molecular formula of Pentoprilat is C16H19NO5 and its molar mass is 305.33 g/mol.

What is Pentoprilat used for?

Known uses and roles of Pentoprilat include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pentoprilat hazardous?

No GHS hazard classification for Pentoprilat 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 Pentoprilat?

Pentoprilat is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentoprilat?

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

What is the price of Pentoprilat?

Suppliers quote Pentoprilat 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 Pentoprilat

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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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