HuagongsheHuagongshe Chemistry Print Report · For research reference only
Perindopril Erbumine
Aceon · prindopril API · Perindopril ErbuMine (Aceon) · Perindopril t-ButylaMine · Perindopril tert-butylamine salt · Perindopril for stereochemical purity CRS · CoversuM · PrestariuM
Identifiers & Physical Properties
| CAS No. | 107133-36-8 |
|---|---|
| Molecular formula | C23H43N3O5 |
| Average molar mass | 441.6 g/mol |
| Monoisotopic mass | 441.32027148 g/mol |
| SMILES | CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC |
| InChIKey | IYNMDWMQHSMDDE-MHXJNQAMSA-N |
| PubChem CID | 441313 |
| ChEMBL | CHEMBL1200343 |
| ChEBI | CHEBI:8025 |
| EC No. | 600-798-6 |
| DTXSID | DTXSID1044198 |
Chemical & Physical Properties
| Topological polar surface area | 122 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 9 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 549 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Collision Cross Section | 188.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Melting point | 126-128°C |
| Storage conditions | 2-8°C |
| Solubility | H2O: soluble10mg/mL, clear |
| Physical state | powder |
| Color | White |
| Major applications | pharmaceutical (small molecule) |
| InChIKey | IYNMDWMQHSMDDE-FEWFLNQGNA-N |
| SMILES | C(N)(C)(C)C.C(N1[C@@H](C[C@]2([H])CCCC[C@]12[H])C(=O)O)(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC |&1:7,9,15,21,24,r| |
| FDA UNII | 1964X464OJ |
| NCI Drug Dictionary | Aceon |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | NL5999600 |
| Customs code | 2933999552 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Repr. 2 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.4% (1 of 71) of reports.WarningH302 (88.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.7%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Perindopril erbumineAmbiguous-DILI-concern3Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| Water hazard class (WGK) | 3 |
| RTECS number | NL5999600 |
| Customs code | 2933999552 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H335 |
| Hazard class | Repr. 2 |
| GHS precautionary statements | P280-P305+P351+P338 |
Applications & Uses
Uses
An angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.
Uses
antibacterial
General Description
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards