63941-74-2 , Ioglucomide, CAS:63941-74-2

63941-74-2 , Ioglucomide,
CAS:63941-74-2
C20H28I3N3O13 / 899.162

碘葡胺, Ioglucomide

Ioglucomide is an iodinated nonionic contrast medium directed primarily toward myelographic use.

CAS Number	63941-74-2
Product Name	Ioglucomide
IUPAC Name	2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
Molecular Formula	C20H28I3N3O13
Molecular Weight	899.162 g/mol
InChI	InChI=1S/C20H28I3N3O13/c1-24-18(37)6-7(21)10(25-19(38)16(35)14(33)12(31)4(29)2-27)9(23)11(8(6)22)26-20(39)17(36)15(34)13(32)5(30)3-28/h4-5,12-17,27-36H,2-3H2,1H3,(H,24,37)(H,25,38)(H,26,39)/t4-,5-,12-,13-,14+,15+,16-,17-/m1/s1
InChI Key	ASFIRRNYUOVVLY-JVOWFEOISA-N
SMILES	CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C(C(C(C(CO)O)O)O)O)I)NC(=O)C(C(C(C(CO)O)O)O)O)I
Solubility	Soluble in DMSO
Synonyms	3,5-bis(D-gluconamido)-2,4,6-triiodo-N-methylbenzamide, ioglucomide
Canonical SMILES	CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C(C(C(C(CO)O)O)O)O)I)NC(=O)C(C(C(C(CO)O)O)O)O)I
Isomeric SMILES	CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I