Libenzapril
Also known as Abutapril, CGS 16617, 1H-1-Benzazepine-1-acetic acid, 3-((5-amino-1-carboxypentyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))
Key facts
What buyers check first
- CAS number
- 109214-55-3
- Formula
- C18H25N3O5
- Molar mass
- 363.41 g/mol
- HS code
- 293379
- Category
- Amino acids and derivatives
What is Libenzapril?
Plain description, key identifiers and synonyms
Libenzapril is a dipeptide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S)-6-amino-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
- CAS number
- 109214-55-3
- Molecular formula
- C18H25N3O5
- UNII
- QD8496WWYK
- InChIKey
- AXTCRUUITQKBAV-KBPBESRZSA-N
- InChI
- InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1
- Canonical SMILES
- NCCCCC(NC1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O
- Isomeric SMILES
- C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@@H](CCCCN)C(=O)O)CC(=O)O
Synonyms
- Abutapril
- CGS 16617
- 1H-1-Benzazepine-1-acetic acid, 3-((5-amino-1-carboxypentyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))
- libenzaprilum
- 1H-1-Benzazepine-1-acetic acid, 3-((5-amino-1-carboxypentyl)amino)-2,3,4,5-tetrahydro-2-oxo-
- (2S)-6-amino-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
- N-((3S)-1-(Carboxymethyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-L-lysine
- Abutapril, CGS-16617
- Libenzapril (USAN/INN)
- 1H-1-Benzazepine-1-aceticacid, 3-[[(1S)-5-amino-1-carboxypentyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)-
- 1H-1-Benzazepine-1-acetic acid, 3-(((1S)-5-amino-1-carboxypentyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (3S)-
- 1H-1-Benzazepine-1acetic acid,3-[[(1S)-5-amino-1-carboxypentyl]amino]-2,3,4,5-tetrahydro-2-oxo-,(3S)-
- 6-Amino-2-(1-carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-hexanoic 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 | 363.41 g/molcalc.Computed value |
|---|---|
| Exact mass | 363.1794 Dacalc.Computed value |
| LogP (octanol/water) | 0.59calc.Computed value |
| Topological polar surface area | 133 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1CCCc2ccccc2N1
2 rings, 12 atoms, the 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one ring system.
258 other chemicals share this scaffoldSafety 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.
Libenzapril suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Libenzapril can send you quotes. Your contact details stay private until you accept a quote.
Libenzapril price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Pharmacological actions
- Angiotensin-Converting Enzyme Inhibitors
- Antihypertensive Agents
Pharmacology
Libenzapril is a long-acting, small polar angiotensin-converting enzyme (ACE) inhibitor with antihypertensive activity. Libenzapril competitively binds to and inhibits ACE, thereby blocking the conversion of angiotensin I to angiotensin II. This prevents the potent vasoconstrictive actions of angiotensin II and results in vasodilation. Libenzapril also decreases angiotensin II-induced aldosterone secretion by the adrenal cortex, which leads to an increase in sodium excretion and subsequently increases water outflow.
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 Libenzapril is traded under.
Lactams, other lactams
* Partner reported figures, a lower bound.
The HS code shown for Libenzapril is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![3-[[1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid chemical structure, C24H28N2O5, CAS 98626-50-7](/s/XPCFTKFZXHTYIP-UHFFFAOYSA-N.svg)
![[(3RS)-3-[[(1SR)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid chemical structure, C24H28N2O5, CAS 86541-76-6](/s/XPCFTKFZXHTYIP-VQTJNVASSA-N.svg)
![2-((S)-3-((R)-1-Ethoxy-1-oxo-4-phenylbutan-2-ylamino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid hydrochloride chemical structure, C24H29ClN2O5, CAS 86541-77-7](/s/VPSRQEHTHIMDQM-CMXBXVFLSA-N.svg)
![1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, hydrochloride (1:1), (3S)-rel- chemical structure, C24H29ClN2O5, CAS 88372-38-7](/s/VPSRQEHTHIMDQM-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![2-{[3-(2-Octanoylhydrazinyl)-3-oxopropanoyl]amino}benzoic acid chemical structure, C18H25N3O5, CAS 302788-74-5](/s/ZFTCEOKHMSAOOC-UHFFFAOYSA-N.svg)
![tert-Butyl 4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate chemical structure, C18H25N3O5, CAS 865659-73-0](/s/JLSDDAXAQSRWMO-UHFFFAOYSA-N.svg)
![N1-(2-(benzo[d][1,3]dioxol-5-yl)-2-morpholinoethyl)-N2-isopropyloxalamide chemical structure, C18H25N3O5, CAS 896333-94-1](/s/CWMUSTKCUFYJEZ-UHFFFAOYSA-N.svg)
![N-Cyclopentyl-2-(diethylamino)-2-(6-nitrobenzo[d][1,3]dioxol-5-yl)acetamide chemical structure, C18H25N3O5, CAS 1008607-91-7](/s/LTSSQRZCUMEKCX-UHFFFAOYSA-N.svg)
![N1-(benzo[d][1,3]dioxol-5-yl)-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide chemical structure, C18H25N3O5, CAS 953225-45-1](/s/CVYSMXKKUNNXAM-UHFFFAOYSA-N.svg)
![(3,4-Dimethoxyphenyl)[4-(morpholin-4-ylcarbonyl)piperazin-1-yl]methanone chemical structure, C18H25N3O5, CAS 700854-20-2](/s/YQHDGQOHBJBADV-UHFFFAOYSA-N.svg)
![N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide chemical structure, C18H25N3O5, CAS 868965-12-2](/s/FFAYHJBGSXQCTF-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Libenzapril, based on the data on this page
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What is the molecular formula and weight of Libenzapril?
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Guides for buyers
Practical guides that help when you source, ship or handle Libenzapril
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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