2-(ethylamino)-2-(thiophen-2-yl)cyclohexan-1-one

• ChemBase ID: 130313
• Molecular Formular: C12H17NOS
• Molecular Mass: 223.33448
• Monoisotopic Mass: 223.10308517
• SMILES: O=C1C(c2sccc2)(NCC)CCCC1
• Canonical SMILES: CCNC1(CCCCC1=O)c1cccs1
• InChI: InChI=1S/C12H17NOS/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14/h5,7,9,13H,2-4,6,8H2,1H3
• InChIKey: QAXBVGVYDCAVLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-2-(thiophen-2-yl)cyclohexan-1-one
• IUPAC Traditional name: tiletamine
• Synonyms: 2-(Ethylamino)-2-(2-thienyl)cyclohexanone Hydrochloride; CI 634; CL 399; CN 54521-2; NSC 167740; Tiletamin Hydrochloride; Tiletamine Hydrochloride; Tiletamine

Database IDs

• CAS Number: 14176-50-2
• PubChem SID: 162224592
• PubChem CID: 26533
• Chemspider ID: 24714
• KEGG ID: D08596
• Unique Ingredient Identifier: 2YFC543249
• Wikipedia Title: Tiletamine

CALCULATED PROPERTIES

• Acid pKa: 18.879047
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7148516
• LogD (pH = 7.4): 2.432973
• Log P: 3.0129473
• Molar Refractivity: 62.3875 cm^3
• Polarizability: 24.577255 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: IV, IM, SC, Other
• Excretion: Kidneys
• Metabolism: Liver
• Legal Status: Schedule III (US)

DETAILS

Toronto Research Chemicals - T440200

Tiletamine is a receptor antagonist, an anesthetic drug. Tiletamine is related chemically and pharmacologically to other anesthetics in this family such as ketamine and phencyclidine.

REFERENCES

• Tsubota, T., et al.: Vet. Med. Sci., 53, 321 (1991)
• Cattet, M., et al.: J. Wildl. Dis., 33, 611 (1991)