AG00326E

31127-80-7 | 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-

AG00326E

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CAS Number	31127-80-7
Catalog Number	AG00326E(AGN-PC-0NG4XO)
Chemical Name	1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
IUPAC Name	5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI	InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)
InChI Key	BHCBLTRDEYPMFZ-UHFFFAOYSA-N
MDL Number	MFCD08063354
Molecular Formula	C16H20I3N3O7
Molecular Weight	747.0593
SMILES	C(=O)(NCC(CO)O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)NC(=O)C)I
Synonyms	31127-80-7, 5-Acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, Iohexol related compound A, 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 1,3-BENZENEDICARBOXAMIDE, 5-(ACETYLAMINO)-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-, 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 66108-90-5, Iodixanol impurity B [EP], Iodixanol related compound B, 5-Acetamido-N,N -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, Iohexol related compound A [USP], Iohexol specified impurity A [EP], Iodixanol related compound B [USP], HYDROLYSATE, Iohexol related compound A RS [USP], PubChem18658, ACMC-1AFS9, SCHEMBL619944, Jsp005829, CTK8B1435, BHCBLTRDEYPMFZ-UHFFFAOYSA-N, C16H20I3N3O7, BCP21172, EBD32373, ANW-27037, CA-478, MFCD08063354, 5-acetylamino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide, AKOS015900494, Isophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, AB43488, AC-2654, ACN-030426, VZ29946, (+/-)-5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 1,3-Benzenedicarboxamide, 5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, AK-78748, AN-13745, CC-20783, Q962, SC-27403, SY002416, AB0017916, AX8020141, DB-047970, TC-115782, FT-0638951, ST24029304, MFCD08063354 (97+%), 127A807, A820731, C-23485, I14-0606, 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bi, 5-Acetamido-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide, 5-Acetamido-N,N;-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo isophthalamide, 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxamide, 5-(Acetamido)-N,N\'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide, 5-acetamido-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-acetamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzene-dicarboxamide, 5-Acetylamido-N,N?bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-(Acetylamino)-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Acetamido-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-acetamido-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide, Iohexol Intermediate, Iohexol EP Impurity A, UNII-BK2UH2P436, BK2UH2P436, CS-O-13730, CID11115326, A2169, 4-(4-Hydroxybenzoyl)-1,2,3-trihydroxybenzene, EC 445-830-8, 5-(Acetyl amino)N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-(Acetylamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamine, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 97% - 25G 25g, 5-acetylamino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenecarboxamide,

Complexity	546
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	746.844g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	747.063g/mol
Monoisotopic Mass	746.844g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	168A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number