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Screening compounds

Temocapril

Also known as Temocaprilum, 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid, (2S-(2alpha,6beta(R*)))-6-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid

CAS 111902-57-9Formula C23H28N2O5S2Molar mass 476.62 g/mol
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Temocapril chemical structure, C23H28N2O5S2, CAS 111902-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
111902-57-9
Formula
C23H28N2O5S2
Molar mass
476.62 g/mol
HS code
293499
Category
Screening compounds

What is Temocapril?

Plain description, key identifiers and synonyms

Temocapril is a dipeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
CAS number
111902-57-9 CAS number cross-checked
Molecular formula
C23H28N2O5S2
UNII
18IZ008EU6
MDL number
MFCD00865951
InChIKey
FIQOFIRCTOWDOW-BJLQDIEVSA-N
InChI
InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1
Canonical SMILES
CCOC(=O)C(CCc1ccccc1)NC1CSC(c2cccs2)CN(CC(=O)O)C1=O
Isomeric SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)C3=CC=CS3

Synonyms

  • Temocaprilum
  • 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
  • (2S-(2alpha,6beta(R*)))-6-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid
  • 2-((2S,6R)-6-(((2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl)acetic acid
  • 2-((2S,6R)-6-(((2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acid
  • 2-((2S,6R)-6-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acid
  • Temocapril (INN)
  • 2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
  • Temocapril - API Standards
  • Discontinued See T017301
  • (+)-(2S,6R)-6-(((1S)-1-Carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid, 6-ethyl ester
  • [(2S,6R)-6-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid
  • 1,4-Thiazepine-4(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, (2S-(2alpha,6beta(R*)))-
  • 2-((2S,6R)-6-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)aceticacid
  • 2-((2S,6R)-6-((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-ylamino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acid
  • 2-[(2S,6R)-6-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid

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
476.62 g/molcalc.
Exact mass
476.144 Dacalc.
LogP (octanol/water)
2.97calc.
Topological polar surface area
95.94 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
10calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
2calc.
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, O=C1NCC(c2cccs2)SCC1NCCCc1ccccc1

O=C1NCC(c2cccs2)SCC1NCCCc1ccccc1

3 rings, 23 atoms.

5 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.

Temocapril suppliers

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Temocapril 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

Roles

  • cardiovascular drug
  • pharmaceutical

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 Temocapril is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Temocapril?

Temocapril is a dipeptide.

What is the CAS number of Temocapril?

The CAS registry number of Temocapril is 111902-57-9.

What is the molecular formula and weight of Temocapril?

The molecular formula of Temocapril is C23H28N2O5S2 and its molar mass is 476.62 g/mol.

What is Temocapril used for?

Known uses and roles of Temocapril include building blocks in research and laboratory, screening compounds in research and laboratory, cardiovascular drug and pharmaceutical.

Is Temocapril hazardous?

No GHS hazard classification for Temocapril 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 Temocapril?

Temocapril is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Temocapril?

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

What is the price of Temocapril?

Suppliers quote Temocapril 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 Temocapril

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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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