7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
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Basic information
- CAS
130940-73-7- Standard SMILES
O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(O)c([125I])c1- InChIKey
RILIUTBHQHCVMM-AULLTFLWSA-N- Molecular formula
- C20H26INO5S
- Average molar mass
- 517.4 g/mol
- Monoisotopic mass
- 517.0578
Overview
radioligand for platelet thromboxane A2 receptor; structure given in first source; RN given refers to 125I-labeled cpd
Names & identifiers
- Preferred name
- 7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
- IUPAC
- (Z)-7-[(1R,2R,3R,4S)-3-[(4-hydroxy-3-(125I)iodophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
- English name
- 7-(3-iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
- Molecular formula
- C20H26INO5S
- Molecular weight
- 518.38461
Names & synonyms
I-S-145-OH130940-73-77-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acidRefChem:105693
Database identifiers
- CAS
130940-73-7- PubChem CID
- 6444007
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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