Ethyl (1S)-(+)-10-Camphorsulfonate - CAS 108481-13-6
Catalog: |
BB002274 |
Product Name: |
Ethyl (1S)-(+)-10-Camphorsulfonate |
CAS: |
108481-13-6 |
Synonyms: |
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid ethyl ester; ethyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate |
IUPAC Name: | ethyl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate |
Description: | Ethyl (1S)-(+)-10-Camphorsulfonate (CAS# 108481-13-6) is a carcinogenic impurity in Esomeprazole Magnesium (E668300), S-Form of Omeprazole. Gastric proton-pump inhibitor. |
Molecular Weight: | 260.35 |
Molecular Formula: | C12H20O4S |
Canonical SMILES: | CCOS(=O)(=O)CC12CCC(C1(C)C)CC2=O |
InChI: | InChI=1S/C12H20O4S/c1-4-16-17(14,15)8-12-6-5-9(7-10(12)13)11(12,2)3/h9H,4-8H2,1-3H3 |
InChI Key: | FXHGNNYOXDWQFY-UHFFFAOYSA-N |
Boiling Point: | 76 °C (0.3 mmHg) |
LogP: | 2.82890 |
Publication Number | Title | Priority Date |
CN-108051528-A | The method that camphorsulfonic acid ester type compound is detected from drug | 20180205 |
CN-108051528-B | Method for detecting camphorsulfonate compound from medicine | 20180205 |
FR-2471190-A1 | THERAPEUTIC COMPOSITION USEFUL IN THE TREATMENT OF COUGH COMPRISING AN ANTITUSSIVE MEDIUM, AN ANTISPASMODIC MEANS, AN ANTIHISTAMINE MEANS AND A MEDIUM EXPECTOR | 19791211 |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.10823029 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.10823029 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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