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)
Molecular Formula | H |
Molecular Weight | 1.0079 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C32H35N2O12S4 |
Molecular Weight | 767.887 |
Charge | -3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 4 |
Optical Activity | NONE |
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
PubMed
Title | Date | PubMed |
---|---|---|
A novel fluorescent imaging agent for diffuse optical tomography of the breast: first clinical experience in patients. | 2010 Jun |
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Near-infrared imaging of the breast using omocianine as a fluorescent dye: results of a placebo-controlled, clinical, multicenter trial. | 2011 Nov |
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Near-infrared imaging of breast cancer using optical contrast agents. | 2012 Nov |
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
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:31:50 UTC 2023
by
admin
on
Fri Dec 15 16:31:50 UTC 2023
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Record UNII |
5GD5D29K7I
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Record Status |
Validated (UNII)
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Record Version |
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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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