Basic information
- CAS
3571-49-1- Standard SMILES
NCCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1- InChIKey
NMRKJTPVKAFIII-UHFFFAOYSA-N- Molecular formula
- C14H11I4NO2
- Average molar mass
- 732.86 g/mol
- Monoisotopic mass
- 732.6969
Names & identifiers
- Preferred name
- Thyroxamine
- IUPAC
- 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol
- English name
- thyroxamine
- Molecular formula
- C14H11I4NO2
- Molecular weight
- 732.86
Names & synonyms
Thyroxamine3571-49-1L-Thyroxamine21R0Z63YKKDTXSID70189230Phenol, 4-(4-(2-aminoethyl)-2,6-diiodophenoxy)-2,6-diiodo-RefChem:189909DTXCID001117214-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenolUNII-21R0Z63YKK4-(4-(2-aminoethyl)-2,6-diiodophenoxy)-2,6-diiodophenolCHEMBL201623
Show more names
Thyroxamine HClPhenol, 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodo-T4AM, 4-[4-(2-AMinoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol
SCHEMBL138865963,3'',5,5''-tetraiodothyronamineBDBM50181803AKOS040754204Q27253573
Database identifiers
- CAS
3571-49-1- PubChem CID
- 3080596
- DTXSID
DTXSID70189230- ChEMBL
CHEMBL201623- UNII
- 21R0Z63YKK
- Nikkaji
- J2.654.702D
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 506.6 · 506.6±50.0 °C(Predicted)
- Density
- 2.587 · 2.587±0.06 g/cm3(Predicted)
- pka
- 6.89 · 6.89±0.25(Predicted)
- FDA UNII
- 21 R0Z63YKK · 21R0Z63YKK
Chemistry & industry
Suppliers6 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
四川爱元生物医药科技有限公司0838-6510595 13402890778 15102836436 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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