(S)-Adamantylglycine Hydrochloride - CAS 102502-64-7
Catalog: |
BB075354 |
Product Name: |
(S)-Adamantylglycine Hydrochloride |
CAS: |
102502-64-7 |
Synonyms: |
(S)-2-(Adamantan-1-yl)-2-aminoacetic acid hydrochloride; (S)-Adamantylglycine Hydrochloride; (2S)-2-(1-adamantyl)-2-aminoacetic acid; hydrochloride; Tricyclo[3.3.1.13,7]decane-1-acetic acid, alpha-amino-, hydrochloride (1:1), (alphaS)- |
IUPAC Name: | (2S)-2-(1-adamantyl)-2-aminoacetic acidhydrochloride |
Description: | (S)-adamantylglycine is used to prepare saxagliptin (BMS-477118) as highly potent and long-acting and orally active dipeptidyl peptidase IV inhibitor for treatment of type 2 diabetes. |
Molecular Weight: | 245.75 |
Molecular Formula: | C12H20ClNO2 |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)C(C(=O)O)N.Cl |
InChI: | InChI=1S/C12H19NO2.ClH/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)1H/t7?,8?,9?,10-,12?/m1./s1 |
InChI Key: | HEUUMSMIQNBXML-FQPTWHMSSA-N |
References: | Augeri, D., et al. J. Med. Chem., 48, 5025 (2005). |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1182566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1182566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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