Ketamine

Fluorexetamine · 2-(2-chlorophenyl)-2-methylamino-cyclohexan-1-one · Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (±)- (8CI) · C07525 · Ketoject · NSC 70151 · dl-Ketamine · (+-)-cyclohexanon

https://huagongshe.com/en/chemical/3821

Identifiers & Physical Properties

CAS No.	6740-88-1
Molecular formula	C13H16ClNO
Average molar mass	237.72 g/mol
Monoisotopic mass	237.09204181 g/mol
SMILES	CNC1(c2ccccc2Cl)CCCCC1=O
InChIKey	YQEZLKZALYSWHR-UHFFFAOYSA-N
PubChem CID	3821
ChEMBL	CHEMBL742
ChEBI	CHEBI:6121
EC No.	229-804-1
DTXSID	DTXSID8023187

Chemical & Physical Properties

XLogP	2.2
Topological polar surface area	29.1
Hydrogen bond donors	1
Hydrogen bond acceptors	2
Rotatable bonds	2
Heavy atoms	16
Formal charge	0
Complexity	269
Drugs	DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Synthetic Cannabinoids or Psychoactive CompoundsPharmaceuticals -> Illicit drugs
pH	pH of 10% aqueous solution: 3.5
LogP (partition coefficient)	log Kow = 2.182.9
Color/Form	Crystals from pentane-ether
Solubility	SolubleWhite crystals, mp 262-263 °C. Solubility in water: 20 g/100mL. Freely soluble in methanolsoluble in alcoholsparingly soluble in chloroform /Ketamine hydrochloride/4.64e-02 g/L
Human Drugs	Breast FeedingLactationMilk, HumanAnesthetics, IntravenousHypnotics and SedativesAnesthetics, DissociativeExcitatory Amino Acid AntagonistsGeneral anaesthetics and oxygen > Injectable medicines
Animal Drugs	Pharmaceuticals -> Animal Drugs -> Approved in TaiwanPharmaceuticals -> UK Veterinary Medicines Directorate List
Decomposition	When heated to decomposition it emits toxic fumes of /chloride/ and /nitrogen oxides/.
Melting point	92.5ºC92.5 °C92-93°
Physical Description	Solid
Stability/Shelf Life	Stable under recommended storage conditions. /Ketamine hydrochloride/VET: Color of solution may vary from colorless to very slightly yellowish and may darken upon prolonged exposure to light. This darkening does not affect potency. Do not use if precipitate appears.
Dissociation Constants	7.5pKa = 7.5
Boiling point	363.8±42.0 °C(Predicted)
Density	1.0982 (rough estimate)
Refractive index	1.6330 (estimate)
pKa (acidity coefficient)	7.5(at 25℃)
FDA UNII	690G0D6V8H
EPA Substance Registry System	Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)- (6740-88-1)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302+H332
UN transport number	3249
Hazard class	6.1(b)
Packing group	III
Hazardous substances data	6740-88-1(Hazardous Substances Data)
REACH registrations	Active

Safety & Regulations

GHS classification	WarningH302+H332 (66.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral]
Regulatory information	Status: Active Update: 31-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11298Ketamine: Does not have an individual approval but may be used under an appropriate group standard
Other safety information	IMAP assessments - Cyclohexanone, 2-(2-chlorophenyl)-2-(methylamino)-, (.+-.)-: Environment tier I assessment
FDA requirements	The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Ketamine hydrochloride is included on this list. /Ketamine hydrochloride/Schedule III shall consist of the drugs and other substances, by whatever official name, common or usual name, chemical name, or brand name designated, listed in this section. Each drug or substance has been assigned the DEA Controlled Substances Code Number set forth opposite it. Depressants. ... Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances having a depressant effect on the central nervous system: Ketamine, its salts, isomers, and salts of isomers. DEA Code Number: 7285.Implanatation or injectable dosage form new animal drugs. Ketamine. ... Federal law restricts this drug to use by or on the order of a licensed veterinarian. ... Conditions of use - (1) Cats ... Indications for use: For restraint or as the sole anesthetic agent in diagnostic or minor, brief surgical procedures that do not require skeletal muscle relaxation. (2) Subhuman primates ... Indications for use: For restraint.The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including ketamine hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Ketamine hydrochloride/

Applications & Uses

Uses

Anesthetic.