Revefenacin
C35H43N5O4 — CID 11753673
View drug profile → revefenacinData last refreshed: (MolForge compound catalog, from PubChem)
About Revefenacin
Revefenacin (PubChem CID 11753673) has the molecular formula C35H43N5O4 and a molecular weight of 597.76 g/mol. Its IUPAC name is [1-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
Molecular Properties
| Compound Name | Revefenacin |
|---|---|
| PubChem CID | 11753673 |
| Molecular Formula | C35H43N5O4 |
| Molecular Weight | 597.76 g/mol |
| Exact Mass | 597.33 |
| IUPAC Name | [1-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate |
| SMILES | CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1 |
| InChI | InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43) |
| InChIKey | FYDWDCIFZSGNBU-UHFFFAOYSA-N |
| XLogP | 4.84 |
| TPSA | 108.21 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 44 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 597.76 |
| LogP ≤ 5 | 4.84 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Related Compounds
Frequently Asked Questions
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Sources
- PubChem CID 11753673 — identifiers, structure, computed properties (public domain)
- DrugCentral drug card 5303 — approved-drug record (CC BY-SA 4.0)
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