Details
Stereochemistry | ACHIRAL |
Molecular Formula | C32H35N2O12S4.3H |
Molecular Weight | 770.91 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 4 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[H+].CC(\C=C\C=C1\N(CCS([O-])(=O)=O)C2=C(C=C(C=C2)S([O-])(=O)=O)C1(C)C)=C/C=C/C3=[N+](CCS([O-])(=O)=O)C4=C(C=C(C=C4)S([O-])(=O)=O)C3(C)C
InChI
InChIKey=WKWHOLCUESSZIQ-UHFFFAOYSA-N
InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)
Omocianine was developed as an enhancer of fluorescence optical mammography allowed better detection of more superficially located lesions. It was shown that the lowest doses of omocianine performed best in lesion detection. Diffuse optical tomography using a low-dose fluorescent agent is feasible and safe for breast cancer visualization in patients. This compound participated in phase I clinical trials in Germany and in the Netherlands, however, these studies were discontinued.
Originator
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19798535
Eleven women suspected of breast cancer were imaged with diffuse optical tomography at multiple time points (up to 24 h) after receiving an intravenous injection of Omocianine (doses 0.01 to 0.1 mg/kg bodyweight).
Route of Administration:
Intravenous
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C166847
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CHEMBL2107764
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59529
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154082-13-0
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300000036994
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C570392
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8537
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DTXSID20165529
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5GD5D29K7I
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44147472
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ACTIVE MOIETY