HuagongsheHuagongshe Chemistry Print Report · For research reference only
Amorolfine hydrochloride
AMOROLFINE HCL · 2,6-dimethyl-4-(2-methyl-3-(4-(tert-pentyl)phenyl)propyl)morpholine · Odenil · Locetar · Curanail · Amorolfine HCI · Ro 14-4767/002 · Amorofen hydrochloride
Identifiers & Physical Properties
| CAS No. | 78613-38-4 |
|---|---|
| Molecular formula | C21H36ClNO |
| Average molar mass | 354 g/mol |
| Monoisotopic mass | 353.24854245 g/mol |
| SMILES | CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.Cl |
| InChIKey | XZKWIPVTHGWDCF-KUZYQSSXSA-N |
| PubChem CID | 54259 |
| ChEMBL | CHEMBL4303363 |
| ChEBI | CHEBI:59649 |
| EC No. | 689-236-9 |
| DTXSID | DTXSID80229217 |
Chemical & Physical Properties
| Topological polar surface area | 12.5 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 6 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 336 |
| Boiling point | 120 C |
| Storage conditions | room temp |
| Solubility | DMSO: ≥5mg/mL (warmed) |
| Physical state | powder |
| Color | white to beige |
| Major applications | pharmaceutical (small molecule) |
| InChI | 1S/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H31H/t16,17-,18+ |
| InChIKey | XZKWIPVTHGWDCF-KUZYQSSXSA-N |
| SMILES | Cl.CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1 |
| CAS DataBase Reference | 78613-38-4(CAS DataBase Reference) |
| FDA UNII | 741YH7379H |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS07,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H411 |
| GHS precautionary statements | P301+P312+P330 |
| Hazard symbols | Xn,N |
| Risk statements (R) | 20/21/22-36/37/38-50/53-38-22 |
| Safety statements (S) | 26-36-61 |
| UN transport number | UN 3077 9 / PGIII |
| Water hazard class (WGK) | 3 |
| Customs code | 29411010 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralAquatic Chronic 2Skin Irrit. 2 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3077 9 / PGIII |
| Customs code | 29411010 |
| Risk statements (R) | 20/21/22-36/37/38-50/53-38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS09 |
| Hazard symbols | Xn,N |
| Safety statements (S) | 26-36-61 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H411 |
| Hazard class | Acute Tox. 4 OralAquatic Chronic 2Skin Irrit. 2 |
| GHS precautionary statements | P301+P312+P330 |
Applications & Uses
Description
Amorolfine hydrochloride is the first morpholine antifungal agent useful in the topical treatment of onychomycosis. Mechanistically, it appears to inhibit two stages of the ergosterol biosynthetic pathway, which is necessary for fungal cell viability. Active against a broad spectrum of fungi, amorolfiie hydrochloride is particularly effective against yeasts such as Histoplasma capsulatum, dermatophytes and dematiaceous fungi.
Uses
Amorolfine hydrochloride has been used as an antifungal agent.
Uses
antihypertensive