Isosulfan blue

Isosulfan blue, sold under the brand name Lymphazurin among others, is a contrast agent medication used to delineate the lymphatic vessels^[1] during a lymphography procedure.^[2]

Isosulfan blue

Clinical data
Trade names	Lymphazurin
Other names	Isosulfan blue inner salt
AHFS/Drugs.com	Micromedex Detailed Consumer Information
License data	US DailyMed: Isosulfan blue
Routes of administration	Subcutaneous
ATC code	None
Legal status
Legal status	US: ℞-only[1]
Identifiers
CAS Number	68238-36-8 inner salt: 748080-29-7
PubChem CID	50108 inner salt: 52946590
DrugBank	DBSALT002720 inner salt: DB09136
ChemSpider	45452 inner salt: 4533
UNII	39N9K8S2A4 inner salt: NS6Q291771
KEGG	D04634
ChEMBL	ChEMBL1200859 inner salt: ChEMBL1615783
CompTox Dashboard (EPA)	DTXSID8057805
ECHA InfoCard	100.248.842
Chemical and physical data
Formula	C27H31N2NaO6S2
Molar mass	566.66 g·mol−1
3D model (JSmol)	Interactive image inner salt: Interactive image
SMILES [Na+].CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=CC(=CC=C1S([O-])(=O)=O)S([O-])(=O)=O inner salt: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(ccc3S(=O)(=O)[O-])S(=O)(=O)O
InChI InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1 Key:NLUFDZBOHMOBOE-UHFFFAOYSA-M inner salt: InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p+1 Key:YFKDCGWIINMRQY-UHFFFAOYSA-N