3-Amino-2,4,6-triiodobenzeneheptanoic Acid - CAS 161466-28-0
Catalog: |
BB061480 |
Product Name: |
3-Amino-2,4,6-triiodobenzeneheptanoic Acid |
CAS: |
161466-28-0 |
Synonyms: |
7-(3-amino-2,4,6-triiodophenyl)heptanoic acid; 3-Amino-2,4,6-triiodobenzeneheptanoic Acid; 7-(3-AMINO-2,4,6-TRIIODO-PHENYL)-HEPTANOIC ACID |
IUPAC Name: | 7-(3-amino-2,4,6-triiodophenyl)heptanoic acid |
Molecular Weight: | 598.99 |
Molecular Formula: | C13H16I3NO2 |
Canonical SMILES: | C1=C(C(=C(C(=C1I)N)I)CCCCCCC(=O)O)I |
InChI: | InChI=1S/C13H16I3NO2/c14-9-7-10(15)13(17)12(16)8(9)5-3-1-2-4-6-11(18)19/h7H,1-6,17H2,(H,18,19) |
InChI Key: | YUJKNWWQPGSEKH-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2017274101-A1 | Iodine-based particles | 20160325 |
WO-2017165841-A1 | Iodine-based particles | 20160325 |
US-10918742-B2 | Iodine-based particles | 20160325 |
US-2021069352-A1 | Iodine-based particles | 20160325 |
JP-4279505-B2 | Iodobenzene compounds | 20010424 |
JP-4324343-B2 | Compound having triiodophenyl group and steroid residue | 20010424 |
CA-2286138-A1 | Blood-pool carrier for lipophilic imaging agents | 19970411 |
EP-0973553-A2 | Blood-pool carrier for lipophilic imaging agents | 19970411 |
WO-9846275-A2 | Blood-pool carrier for lipophilic imaging agents | 19970411 |
CA-2190509-C | Hepatocyte-selective oil-in-water emulsion | 19940516 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 598.8315 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 598.8315 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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