loading...| Preferred Name |
indocyanine green |
|
| Synonyms |
Cardio-Green Fox Green indocyanine green sodium 4-(2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31696 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:3599-32-4 KEGG:D01342 Wikipedia:Indocyanine_Green Beilstein:4115884 |
|
| formula |
C43H47N2NaO6S2 |
|
| has_exact_synonym |
indocyanine green sodium 4-(2-{7-[1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Cardio-Green Fox Green |
|
| id |
CHEBI:31696 |
|
| in_subset | ||
| inchi |
InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1 |
|
| inchikey |
MOFVSTNWEDAEEK-UHFFFAOYSA-M |
|
| label |
indocyanine green |
|
| mass |
774.96493 |
|
| monoisotopicmass |
774.27732 |
|
| notation |
CHEBI:31696 |
|
| prefLabel |
indocyanine green |
|
| smiles |
[Na+].[H]C(=C([H])C([H])=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C)C([H])=C([H])C([H])=C1N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c2C1(C)C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_62081 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_62081 |