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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
172
Total Number of Articles : 213
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| PubChem |
3005573
|
| Molecular Formula |
C26H28ClNO |
| SMILES |
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3 |
| InChI |
InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25- |
| synonyms |
- toremifene
- Farestone
- 89778-26-7
- Z-Toremifene
- Toremifeno
- Toremifenum
- Chlortamoxifen
- Toremifenum [Latin]
- GTx 006
- Toremiphene
- GTx-006
- UNII-7NFE54O27T
- Toremifene (INN)
- 7NFE54O27T
- CCRIS 8745
- CHEBI:9635
- J33.157K
- (Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine
- Ethanamine, 2-(4-((1Z)-4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-
- 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC)
- DTXSID3023689
- Toremifeno [Spanish]
- 89778-26-7 (free base)
- 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
- Toremifenum (Latin)
- TOREMIFENE [INN]
- Toremifene Base
- TOREMIFENE (IARC)
- TOREMIFENE [IARC]
- Toremifene [INN:BAN]
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| Properties |
| Property |
Value |
| MW |
406.0 g/mol |
| HBD |
0 |
| HBA |
2 |
| Rotatable Bond Count |
9 |
| Exact Mass |
405.1859422 g/mol |
| Monoisotopic Mass |
405.1859422 g/mol |
| Heavy Atom Count |
29 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
483 |
| xlogp |
7.2 |
| Topological Polar Surface Area |
12.5 |
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