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Captopril chemical structure, C9H15NO3S, CAS 62571-86-2
2D chemical structure

Key facts

What buyers check first

Appearance
White to off-white, crystalline powder
Melting point
103 to 104
Solubility
Freely soluble in water (approximately 160 mg/mL)
HS code
293399
Category
Cardiovascular and metabolic drugs
Illustrative photo, off-white crystalline powder with an amber glass bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Captopril?

Plain description, key identifiers and synonyms

Captopril is a L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It is a pyrrolidinemonocarboxylic acid, a N-acylpyrrolidine, an alkanethiol and a L-proline derivative.

Captopril is a chemical compound: ACE inhibitor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CAS number
62571-86-2 CAS number cross-checked
EC number
263-607-1
Molecular formula
C9H15NO3S
UNII
9G64RSX1XD
MDL number
MFCD00168073
InChIKey
FAKRSMQSSFJEIM-RQJHMYQMSA-N
InChI
InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
Canonical SMILES
CC(CS)C(=O)N1CCCC1C(=O)O
Isomeric SMILES
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O

Synonyms

  • Capoten
  • L-Captopril
  • Captopryl
  • Acepress
  • Captoril
  • Garranil
  • Cesplon
  • Captolane
  • Tensoprel
  • Dilabar
  • Lopril
  • Alopresin
  • Hypertil
  • Tenosbon
  • Acepril
  • Apopril
  • Captoprilum
  • Acediur
  • Aceplus
  • (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
  • Farcopril
  • Hypopress
  • Tensiomin
  • Zapto
  • Tensobon
Show all 39 synonyms
  • SQ 14,225
  • SQ 14225
  • D-2-Methyl-3-mercaptopropanoyl-L-proline
  • D-3-Mercapto-2-methylpropanoyl-L-proline
  • Captomax
  • Mepha
  • Lopirin [Switzerland]
  • D-3-Mercapto-2-methylpropionylproline
  • (2S)-1-(3-Mercapto-2-methylpropionyl)-L-proline
  • 1-((2S)-3-Mercapto-2-methylpropionyl)-L-proline
  • 3-Mercapto-2-methylpropionyl-proline
  • L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
  • 1-(3-Mercapto-2-methyl-1-oxopropyl)-L-proline
  • 1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline (S,S)

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

Appearance
White to off-white, crystalline powderexp.
Odour
Slight sulfurous odorexp.
Melting point
103 to 104exp.
Solubility
Freely soluble in water (approximately 160 mg/mL)exp.

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
217.29 g/molcalc.
Exact mass
217.0773 Dacalc.
LogP (octanol/water)
0.63calc.
Topological polar surface area
57.61 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C1CCNC1

C1CCNC1

1 ring, 5 atoms, the Pyrrolidine ring system.

22,348 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H360May damage fertility or the unborn child.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (14)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Captopril suppliers

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All 148 suppliers
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Where suppliers are based

148 suppliers in 26 countries

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Captopril 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

Angiotensin-Converting Enzyme Inhibitors, Antihypertensive Agents.

Veterinary medication:.

Use classes: Pharmaceuticals.

Industries and functions

Pharmacological actions

  • Angiotensin-Converting Enzyme Inhibitors
  • Antihypertensive Agents

Roles

  • antifibrotic agent
  • antihypertensive agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • cardiovascular drug
  • enzyme inhibitor
  • hypoglycemic agent
  • pharmaceutical

Pharmacology

Captopril is an Angiotensin Converting Enzyme Inhibitor. The mechanism of action of captopril is as an Angiotensin-converting Enzyme Inhibitor.

How it is made

Preparation: M.A. Ondetti, D.W. Cushman, German patent 2703828, eidem, United States of America patents 4046889 and 4105776 (1977, 1977, 1978 all to Squibb).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Captopril 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 Captopril is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Captopril?

Captopril is a L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent.

What is the CAS number of Captopril?

The CAS registry number of Captopril is 62571-86-2.

What is the molecular formula and weight of Captopril?

The molecular formula of Captopril is C9H15NO3S and its molar mass is 217.29 g/mol.

What is Captopril used for?

Angiotensin-Converting Enzyme Inhibitors, Antihypertensive Agents. Veterinary medication:. Use classes: Pharmaceuticals.

Is Captopril hazardous?

Captopril carries the GHS signal word "Danger". Main hazards: may cause an allergic skin reaction, causes serious eye damage, may damage fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Captopril?

Captopril 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 Captopril?

CompoundList lists 148 suppliers of Captopril in China, United States, India, Spain and 22 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Captopril in India?

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

What is the price of Captopril?

Suppliers quote Captopril 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 Captopril

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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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