Properties
| Property | Value |
|---|---|
| Molecular Formula | C32H36ClNO8 |
| Molecular Weight | 598.1 |
| Monoisotopic Mass | 597.2129448 |
| Polar Area | 145 |
| Complexity | 708 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Physical Appearance | Brown liquid |
| Stability | Room Temperature |
| PubChem LCSS | Clomiphene Laboratory Chemical Safety Summary |
| Certificate of Analysis | Clomiphene Certificate of Analysis |
Identifiers
| Property | Property Value |
|---|---|
| CID | 60974 |
| CAS | 50-41-9 |
| InChI | InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13, 5(11)12)2-4(9)10/h5-18H, 3-4, 19-20H2, 1-2H3;13H, 1-2H2, (H, 7, 8)(H, 9, 10)(H, 11, 12) |
| InChIKey | PYTMYKVIJXPNBD-UHFFFAOYSA-N |
| Canonical SMILES | CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| IUPAC Name | 2-[4-(2-chloro-1, 2-diphenylethenyl)phenoxy]-N, N-diethylethanamine;2-hydroxypropane-1, 2, 3-tricarboxylic acid |
2D Structure
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed April 20, 2025)
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