3-Hydroxyadamantane-1-carboxylic acid - CAS 42711-75-1
Catalog: |
BB025208 |
Product Name: |
3-Hydroxyadamantane-1-carboxylic acid |
CAS: |
42711-75-1 |
Synonyms: |
3-hydroxyadamantane-1-carboxylic acid |
IUPAC Name: | 3-hydroxyadamantane-1-carboxylic acid |
Description: | 3-Hydroxyadamantane-1-carboxylic acid (CAS# 42711-75-1) is used in the synthesis of potent pyridyl amide/sulfonamide inhibitors of 11β-HSD-1 which could be applied to a treatment of ulcers or in hormone therapy treatments relating to cortisol. |
Molecular Weight: | 196.24 |
Molecular Formula: | C11H16O3 |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)O)C(=O)O |
InChI: | InChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13) |
InChI Key: | CJJMAWPEZKYJAP-UHFFFAOYSA-N |
Boiling Point: | 357.2 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.419 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00193929 |
LogP: | 1.40230 |
GHS Hazard Statement: | H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21754615 | 20110601 | catena-Poly[[[bis-(3-hy-droxy-adamantane-1-carboxyl-ato-κO)(3-hy-droxy-adamantane-1-carb-oxy-lic acid-κO)zinc(II)]-μ(2)-4,4'-bipyridine] monohydrate] | Acta crystallographica. Section E, Structure reports online |
21754291 | 20110501 | Poly[[μ-aqua-bis-(μ-4,4'-bipyridine-κN:N')bis-(μ-3-hy-droxy-adamantane-1-carboxyl-ato-κO:O')bis-(3-hy-droxy-adamantane-1-carboxyl-ato-κO)dicobalt(II)] hepta-hydrate] | Acta crystallographica. Section E, Structure reports online |
20041672 | 20100211 | Conjugates of desferrioxamine B (DFOB) with derivatives of adamantane or with orally available chelators as potential agents for treating iron overload | Journal of medicinal chemistry |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.109944368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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