CCE

2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM

Created:	2004-01-15
Last modified:	2020-06-05

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4 entries where CCE is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	25
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM
Synonyms	CARBAMYL-CHOLINE
Systematic Name (OpenEye OEToolkits)	2-aminocarbonyloxyethyl-trimethyl-azanium
Formula	C₆ H₁₅ N₂ O₂
Molecular Weight	147.195
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC[N+](C)(C)C)N
SMILES	CACTVS	3.341	C[N+](C)(C)CCOC(N)=O
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCOC(=O)N
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCOC(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCOC(=O)N
InChI	InChI	1.03	InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChIKey	InChI	1.03	VPJXQGSRWJZDOB-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB00411 ?
Name	Carbamoylcholine
Groups	approved
Description	Carbamoylcholine, also known as carbachol, is a muscarinic agonist discovered in 1932.[A226315] Carbamoylcholine was initially used as a treatment for migraines,[A226365] induction of diuresis,[A226370] and other parasympathetic effects. Carbamoylcholine was granted FDA approval on 28 September 1972.[L30245]
Synonyms	Carbamoylcholine chloride Carbamylcholine Choline carbamate Carbacholine carbacol Carbamoylcholine
Brand Names	Isopto Carbachol Isopto Carbachol 3% Carbachol Tab 2mg Carbachol Carbachol Injection Liq Sc 0.25mg/ml Miostat Carbastat Carbachol Intraocular Solution 0.01% Miostat Ophthalmic Liq 0.01% Isopto Carbachol 1.5%
Indication	Carbamoylcholine is indicated to induce miosis for surgery and to reduce intraocular pressure elevations in the first 24 hours after cataract surgery.[L30245]
Categories	Alcohols Amines Amino Alcohols Ammonium Compounds Analgesics Analgesics, Non-Narcotic Antiglaucoma Preparations and Miotics Autonomic Agents Cardiotonic Agents Cardiovascular Agents Central Nervous System Agents Choline Esters Cholinergic Agents Cholinergic Agonists Cholinergic Receptor Agonist Compounds used in a research, industrial, or household setting Ethanolamines Miotics Nervous System Neurotransmitter Agents Nitrogen Compounds Onium Compounds Ophthalmologicals Parasympathomemetic (Cholinergic) Agents Parasympathomimetics Peripheral Nervous System Agents Protective Agents Quaternary Ammonium Compounds Sensory Organs Sensory System Agents Trimethyl Ammonium Compounds
ATC-Code	N07AB01 S01EB02
CAS number	462-58-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Muscarinic acetylcholine receptor M1	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISF...	unknown	agonist
Muscarinic acetylcholine receptor M2	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKV...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-2	MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALP...	unknown	agonist
Muscarinic acetylcholine receptor M3	MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFS...	unknown	agonist
Muscarinic acetylcholine receptor M4	MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGN...	unknown	agonist
Cytosolic phospholipase A2	MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGAFGDMLDTPDPYVELFI...	unknown	inducer
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	unknown	substrate
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682