(6S)-6-(2H5)phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride

• ChemBase ID: 172273
• Molecular Formular: C11H13ClN2S
• Molecular Mass: 240.75232
• Monoisotopic Mass: 240.04879711
• SMILES: Cl.S1CCN2C1=N[C@H](C2)c1ccccc1
• Canonical SMILES: C1CN2C(=N[C@H](C2)c2ccccc2)S1.Cl
• InChI: InChI=1S/C11H12N2S.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1
• InChIKey: LAZPBGZRMVRFKY-HNCPQSOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6S)-6-(^2H₅)phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride
• IUPAC Traditional name: (6S)-6-(^2H₅)phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole hydrochloride
• Synonyms: (6S)-2,3,5,6-Tetrahydro-6-(phenyl-d5)imidazo[2,1-b]thiazole Hydrochloride; (-)-Levamisole-d5 Hydrochloride; Ascaridil-d5; Decaris-d5; Dekaris-d5; Ergamisol-d5; Ergamisole-d5; Meglum-d5; NSC 177023-d5; Nemicide-d5; R 12654-d5; Ripercol L-d5; Solaskil-d5; Spartakon L-d5; Tramisol-d5; l-Tetramisole-d5 Hydrochloride; Levamisole-d5 Hydrochloride

Database IDs

• CAS Number: 1246819-64-6
• PubChem SID: 164228183
• PubChem CID: 71749773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.91581506
• LogD (pH = 7.4): 2.220205
• Log P: 2.358227
• Molar Refractivity: 60.0784 cm^3
• Polarizability: 23.0503 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Off-White Solid
• Melting Point: 220-223°C (dec.)

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - L331102

Labelled Levamisole. Biological response modifier with anthelmintic activity. Anthelmintic (nematodes); immunomodulator.

REFERENCES

• Thienpoint, D., et al.: Nature, 209, 1084 (1966)
• Bullock, M.W., et al.: J. Med. Chem., 11, 169 (1966)
• Miller, M.J., et al.: Drugs, 20, 122 (1966)
• Stevenson, H.C., et al.: J. Clin. Oncol., 9, 2052 (1966)
• Amery, W.K., et al.: Int. J. Immunopharmacol., 1