Molecular Identity
Isosulfan Blue
sodium 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,4-disulfonate
PubChem CID: 50108
2D Structure
Properties
C27H31N2NaO6S2
Molecular Formula
566.70
Molecular Weight
g/mol
566.1521
Exact Mass
Da
137
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]Isomeric SMILES
SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]Synonyms(20)
ISOSULFAN BLUE68238-36-8Iso-sulfan blueLYMPHAZURINDTXSID8057805CI 42045DTXCID603159439N9K8S2A4P-1888P-4125NSC-734902Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,5-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, sodium salt(4-(alpha-(p-(Diethylamino)phenyl)-2,5-disulfobenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide, inner salt, sodium saltETHANAMINIUM, N-(4-((4-(DIETHYLAMINO)PHENYL)(2,5-DISULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-, INNER SALT, SODIUM SALTlymphazurin blue
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isosulfan Blue
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