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| CAS Number | 66108-95-0 |
| Catalog Number | AG003R0Z(AGN-PC-0TJIY8) |
| Chemical Name | Iohexol |
| EC Number | 266-164-2 |
| IUPAC Name | 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
| InChI | InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34) |
| InChI Key | NTHXOOBQLCIOLC-UHFFFAOYSA-N |
| MDL Number | MFCD00077732 |
| Molecular Formula | C19H26I3N3O9 |
| Molecular Weight | 821.1379 |
| SMILES | O=C(C1=C(I)C(N(C(C)=O)CC(O)CO)=C(I)C(C(NCC(O)CO)=O)=C1I)NCC(O)CO |
| UNII | 4419T9MX03 |
| Synonyms | Compound 545,
Exypaque,
Iohexol,
Iohexol 350,
Nycodenz,
Omnipaque,
iohexol,
66108-95-0,
Nycodenz,
Omnipaque,
Exypaque,
Iohexolum,
Omnipaque 240,
Histodenz,
Iohexolum [INN-Latin],
UNII-4419T9MX03,
EINECS 266-164-2,
WIN 39424,
BRN 2406632,
N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide,
CHEBI:31709,
NTHXOOBQLCIOLC-UHFFFAOYSA-N,
4419T9MX03,
1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-,
NCGC00166000-01,
DSSTox_CID_3157,
5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide,
DSSTox_RID_76895,
DSSTox_GSID_23157,
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide,
Omnipaque 70,
5-(N-2-3-DIHYDROXYPROPYL-ACETMIDO)-2,4,6-TRIIODO-N,N'-bis-(2,3-DIHYDROXYPROPYL)-ISOPHTHALAMIDE,
5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide,
5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide,
5-[N-(2,3-Dihydroxypropyl)acetamido]-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide,
SMR000857075,
Omnipaque 180,
Omnipaque 210,
Histodenz™,
Iohexol [USAN:BAN:INN:JAN],
C19H26I3N3O9,
Omnipaque (TN),
1,3-benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-,
n,n'-bis(2,3-dihydroxypropyl)-5-[n-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodoisophthalamide,
Prestwick_802,
CAS-66108-95-0,
Iohexol [USAN:USP:INN:BAN:JAN],
Histodenz|||Nycodenz,
AC1L1GKZ,
Prestwick0_000512,
Prestwick1_000512,
Prestwick2_000512,
Prestwick3_000512,
EC 266-164-2,
Iohexol injection (JP17),
Iohexol, analytical standard,
SCHEMBL26501,
BSPBio_000463,
MLS001332585,
MLS001332586,
MLS002153854,
Iohexol (JP17/USP/INN),
SPBio_002384,
BPBio1_000511,
CHEMBL1200455,
DTXSID6023157,
BCBcMAP01_000051,
CTK8G0334,
HMS1569H05,
HMS2096H05,
HMS2235D07,
HMS3369O04,
HMS3713H05,
ALBB-028959,
EBD45459,
HY-B0594,
KS-00001F7T,
ZX-AN079772,
Tox21_112286,
MFCD00077732,
WIN-39424,
AKOS015895399,
Tox21_112286_1,
AC-1934,
API0003012,
CCG-220512,
CS-2811,
DB01362,
SMP1_000152,
NCGC00166000-02,
NCGC00166000-04,
AN-14471,
AS-12699,
BC209326,
CC-29572,
LS-29715,
SC-17734,
AB0012347,
FT-0627276,
I0903,
D01817,
Histodenz(TM), nonionic density gradient medium,
108I950,
A835339,
C-23546,
SR-01000838892,
I06-0659,
SR-01000838892-2,
Iohexol, European Pharmacopoeia (EP) Reference Standard,
Iohexol, United States Pharmacopeia (USP) Reference Standard,
5-(N-dhp-acetamido)-2,4,6-triiodo-N,N'-B is-dhp-isophthalami,
Iohexol, Pharmaceutical Secondary Standard; Certified Reference Material,
Iohexol for peak identification, European Pharmacopoeia (EP) Reference Standard,
1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-,
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide,
5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N inverted exclamation marka-bis(2,3-dihydroxypropyl)isophthalamide,
5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide,
5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide,
5-[n-(2,3-Dihydroxypropyl)acetamido]-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamidesolution,
N1,N3-bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide,
N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide,
N1,N3-bis[2,3-bis(oxidanyl)propyl]-5-[2,3-bis(oxidanyl)propyl-ethanoyl-amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide,
ioxilan,
Imagenil,
Imaginil,
Oxilan,
Oxilan iohexol,
Omnipaque 140,
Omnipaque 300,
Omnipaque 350,
Compound 545,
Imagenil 300,
Imagenil 350,
Iohexol 350,
D02BLO,
Iohexol [USAN:INN:BAN:JAN],
CID3730,
C19-H26-I3-N3-O9,
CS-T-29547,
D007472,
IOX,
|
| Complexity | 653 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 820.88g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 821.142g/mol |
| Monoisotopic Mass | 820.88g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 200A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3 |
| 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 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

