Compound Summary
Tamoxifen citrate
Compound Information
Tamoxifen citrate
Compound Name: | Tamoxifen citrate |
Compound CID: | 2733525 |
Synonyms: | Tamoxifen citrate |
Iupac Name: | 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
InChI: | InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; |
InChIKey: | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
Canonical Smiles: | CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Isomeric Smiles: | CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Molecular Weight: | 563.6 |
Molecular Formula: | C32H37NO8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Tamoxifen citrate
Molecular Weight: | 563.6 |
Molecular Formula: | C32H37NO8 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 41 |
Complexity: | 690 |
Synonyms
Tamoxifen citrate
Experimental Data
Tamoxifen citrate
Experimental Data Visualization
Tamoxifen citrate
Statistics Data
Tamoxifen citrate
Statistics Data Visualization
Tamoxifen citrate
