Basic Information
ID DDInter2150
Drug Type small molecule
Molecular Formula C43H47N2NaO6S2
Molecular Weight 774.970
CAS Number 3599-32-4
Description None
ATC Classification V04CX01
IUPAC Name sodium 2-[(1E,3E,5E)-7-[(2E)-1,1-dimethyl-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium
InChI MOFVSTNWEDAEEK-UHFFFAOYSA-M
Canonical SMILES [Na+].CC1(C)\C(=C/C=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)C3=CC=C4C=CC=CC4=C3C2(C)C)N(CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C12
Useful Links DrugBank ChemSpider Wikipedia ChEMBL
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