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Impurities and reference standards

Spiraprilat

Also known as Spiraprilate, Spiraprilatum, Spirapril diacid

CAS 83602-05-5Formula C20H26N2O5S2Molar mass 438.57 g/mol
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Spiraprilat chemical structure, C20H26N2O5S2, CAS 83602-05-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83602-05-5
Formula
C20H26N2O5S2
Molar mass
438.57 g/mol
HS code
293499
Category
Impurities and reference standards

What is Spiraprilat?

Plain description, key identifiers and synonyms

Spiraprilat is an azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a drug metabolite. It is a tertiary carboxamide, an azaspiro compound, a dicarboxylic acid, a dipeptide, a pyrrolidinecarboxylic acid, a secondary amino compound and a dithioketal.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8S)-7-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
CAS number
83602-05-5 CAS number cross-checkedOther or deprecated CAS: 83507-88-4
Molecular formula
C20H26N2O5S2
UNII
QS56V5Y7EC
InChIKey
FMMDBLMCSDRUPA-BPUTZDHNSA-N
InChI
InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1
Canonical SMILES
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CC2(CC1C(=O)O)SCCS2
Isomeric SMILES
C[C@@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)N[C@@H](CCC3=CC=CC=C3)C(=O)O

Synonyms

  • Spiraprilate
  • Spiraprilatum
  • Spirapril diacid
  • Espiraprilat
  • Sch 33861
  • (8S)-7-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
  • (8S)-7-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
  • (8S)-7-((2S)-2-(((1S)-1-Carboxy-3-phenylpropyl)amino)propanoyl)-1,4-dithia-7-azaspiro(4.4)nonane-8-carboxylic acid
  • 1,4-Dithia-7-azaspiro(4.4)nonane-8-carboxylic acid, 7-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-, (8S-(7(R*(R*)),8R*))-
  • (7S)-8-((2S)-2-(((2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1,4-dithia-8-azaspiro(4.4)nonane-7-carboxylic acid
  • (7S)-8-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid
  • 7-(N-(1-carboxy-3-phenylpropyl)alanyl)-1,4-dithia-7-azaspiro(4,4)nonane-8-carboxylic acid hemihydrate
  • (8S)-7-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)-1,4-dithia-7-azaspiro(4.4)nonane-8-carboxylic acid
  • 1,4-Dithia-7-azaspiro[4.4]nonane-8-carboxylicacid, 7-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-, (8S)-
  • spiraprilic acid
  • Spiraprilat (USAN/INN)
  • Spirapril hydrochloride monohydrate impurity b
  • (2S)-3-((2S)-2-(((1S)-1-Carboxy-3-phenyl-propyl)amino)propanoyl)-6,9-dithia-3-azaspiro(4.4)nonane-2-carboxylic acid
  • 7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1,4-dithia-7-aza-spiro[4.4]nonane-8-carboxylic acid
  • 7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1,4-dithia-7-aza-spiro[4.4]nonane-8-carboxylic acid (Spiraprilat)
  • 7-[N-(1(S)-carboxy-3-phenylpropyl)-S-alanyl]-1,4-dithia-7-azaspiro[4.4]nonane-8(S)-carboxylic 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
438.57 g/molcalc.
Exact mass
438.1283 Dacalc.
LogP (octanol/water)
1.91calc.
Topological polar surface area
106.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
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=C(CNCCCc1ccccc1)N1CCC2(C1)SCCS2

O=C(CNCCCc1ccccc1)N1CCC2(C1)SCCS2

3 rings, 22 atoms.

3 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.

Spiraprilat suppliers

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Spiraprilat 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

  • animal metabolite
  • antihypertensive agent
  • cardiovascular drug
  • drug metabolite
  • enzyme inhibitor
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • pharmaceutical
  • xenobiotic metabolite

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 Spiraprilat 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 Spiraprilat is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Spiraprilat?

Spiraprilat is an azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril.

What is the CAS number of Spiraprilat?

The CAS registry number of Spiraprilat is 83602-05-5. Other or deprecated CAS numbers: 83507-88-4.

What is the molecular formula and weight of Spiraprilat?

The molecular formula of Spiraprilat is C20H26N2O5S2 and its molar mass is 438.57 g/mol.

What is Spiraprilat used for?

Known uses and roles of Spiraprilat include animal metabolite, antihypertensive agent, cardiovascular drug, drug metabolite, enzyme inhibitor and 7 more.

Is Spiraprilat hazardous?

No GHS hazard classification for Spiraprilat 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 Spiraprilat?

Spiraprilat 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 Spiraprilat?

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What is the price of Spiraprilat?

Suppliers quote Spiraprilat 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 Spiraprilat

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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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