AG008P46

76801-93-9 | 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

AG008P46

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CAS Number	76801-93-9
Catalog Number	AG008P46(AGN-PC-0BQSDK)
Chemical Name	5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
IUPAC Name	5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
InChI	InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
InChI Key	KAEGSAWWVYMWIQ-UHFFFAOYSA-N
MDL Number	MFCD08063355
Molecular Formula	C14H18I3N3O6
Molecular Weight	705.0226
SMILES	O=C(NCC(O)CO)C1=C(I)C(N)=C(I)C(C(NCC(O)CO)=O)=C1I
Synonyms	76801-93-9, 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Amino-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide, AK-93495, 3,5-Bis(2,3-dihydroxypropylaminocarbonyl)-2,4,6-triiodoaniline, 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, USP iohexol related compound B, Iohexol impurity J [EP], 5-Amino-N,N -bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, USP iohexol related compound B [USP], PubChem18659, USP iohexol related compound B RS [USP], SCHEMBL619959, CTK5E3451, C14H18I3N3O6, KAEGSAWWVYMWIQ-UHFFFAOYSA-N, BCP26337, KS-00000H7U, AN-832, ANW-44482, CA-479, MFCD08063355, AKOS015900512, AC-2655, ACN-030425, (+/-)-5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, AS-15824, CC-21178, Q963, SC-26006, SY002417, AB0017917, AX8015521, DB-029057, ST2406063, TC-133227, FT-0641609, MFCD08063355 (97+%), 801A939, A838834, C-23458, I14-0611, Q-101937, 5-Amino-N,N;-bis(2,3-dihydroxypropyl)-2,4,6-triiod, 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisopthalamide, 5-amino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodoisophtalamide, 5-Amino-N,N?-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-amino-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)-isophthalamide, 1,3-Benzenedicarboxamide,5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, 5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-Amino-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-Amino-N,N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Amino-N,N;-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Amino-N,N`-Bis(2,3-Dihydroxypropyl)-2,4,6-Triiodo-1,3-Benzenedicarboxamide, 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-azanyl-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide, 5-Amino-N,N inverted exclamation mark -bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, Azaerythromycin A, Iohexol Intermediate, UNII-5046WWA5VH, Ioversol Related Compound A, DESMETHYL AZITHROMYCIN, 5046WWA5VH, 9-Deoxo-9a-aza-9a-homoerythromycin A, CS-O-10946, CID10395011, EC 474-080-4, 5-amino-n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophtalamide, 5-amino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide, 5-Amino N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1, 3-benzenedicarboxamide, 5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide,

Complexity	449
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	704.833g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	705.026g/mol
Monoisotopic Mass	704.833g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	165A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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