Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00912)
Name
Carbachol
Synonyms    Click to Show/Hide the Synonyms of This API
carbachol; 51-83-2; Carbamoylcholine chloride; Carbamylcholine chloride; Jestryl; Miostat; Carbacholine; Carbocholine; Doryl; Isopto Carbachol; CARBACHOL CHLORIDE; Carbacholin; Carbacolina; Carbamiotin; Carbocholin; Carbochol; Carcholin; Coletyl; Vasoperif; Carbyl; Lentin; Moryl; Carbastat; Carbacholine chloride; Choline carbamate chloride; Carbacholum; Karbachol; Rilentol; Choline chlorine carbamate; Mistura C; Doryl (pharmaceutical); Carbaminocholine chloride; P. V. Carbachol; Carbaminoylcholine chloride; Carbacol; Lentine; Choline chloride, carbamate; Carbachol hydrochloride; Karbamoylcholin chlorid; (2-Hydroxyethyl)trimethylammonium chloride carbamate; Carbamoylcholine-hydrochloride; (2-Carbamoyloxyethyl)trimethylammonium chloride; Choline chloride, carbamoyl-; (2-Hydroxyethyl)trimethyl ammonium chloride carbamate; Choline, chloride carbamate(ester); Carbamoylcholine (chloride); UNII-8Y164V895Y; Carbamic acid, ester with choline chloride; 2-carbamoyloxyethyl(trimethyl)azanium;chloride; 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride; 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride; Choline chloride carbamate; MFCD00012011; CHEBI:3385; 2-(trimethylazaniumyl)ethyl carbamate chloride; 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride; 8Y164V895Y; Carbacholinum; Carbach; DSSTox_CID_2730; DSSTox_RID_76703; Lentine [French]; DSSTox_GSID_22730; Karbachol [Czech]; Carbacolo [DCIT]; Carbacholum chloratum; Carbamylcholine chloride, 99%; Carbacholini chloridum; CHEMBL14; Doryl (VAN); Carbacholinium chloratum; Carbacolo; Carbacol [INN-Spanish]; Carbacholum [INN-Latin]; CB; 2-(trimethylamino)ethyl aminooate, chloride; Karbamoylcholin chlorid [Czech]; gamma-Carbamoyl choline chloride; HSDB 6373; CAS-51-83-2; SR-01000075312; NCGC00163219-01; (2-Carbamoyloxy-ethyl)-trimethyl-ammonium; EINECS 200-127-3; NSC 32865; TL 457; 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride; Choline, chloride, carbamate; Choline, chloride, carbamate, hydrochloride; (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium; Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1); Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1); Carbachol [USP:INN:BAN:JAN]; Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride; Carbachol,(S); Choline, carbamate; Miostat (TN); Prestwick_1036; Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride; 2-carbamoyloxyethyl(trimethyl)ammonium chloride; SCHEMBL2791; Carbachol (JAN/USP/INN); MLS002153502; SPECTRUM1500158; Carbamoylcholine chloride, 99%; DTXSID9022730; HMS502E07; Choline, carbamate, hydrochloride; .gamma.-Carbamoyl choline chloride; HMS1570P21; HMS1920I15; HMS2091O17; HMS2097P21; HMS2236L04; HMS3260B08; HMS3372G03; HMS3714P21; Pharmakon1600-01500158; HY-B1208; NSC32865; Tox21_112029; Tox21_500243; CCG-38913; NSC-32865; NSC755919; SBB057998; AKOS015909565; AKOS025149486; Tox21_112029_1; CS-4836; LP00243; MCULE-9644162883; NE31544; NSC-755919; WLN: ZVO2K1&1&1 &Q &G; NCGC00015237-07; NCGC00093705-01; NCGC00093705-02; NCGC00093705-03; NCGC00093705-04; NCGC00093705-05; NCGC00260928-01; SMR000058584; B7196; C0596; EU-0100243; ST51007309; SW197107-3; C 4382; D00524; 31325-EP2274983A1; 31325-EP2277875A2; 31325-EP2284157A1; 31325-EP2289483A1; 31325-EP2299326A1; 31325-EP2305652A2; 31325-EP2305672A1; 31325-EP2308858A1; 31325-EP2311816A1; 31325-EP2311817A1; 2-aminocarbonyloxyethyl(trimethyl)azanium chloride; A828807; Q419401; SR-01000075312-1; SR-01000075312-3; SR-01000075312-6; (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol); Z1551429748; 2-(carbamoyloxy)-N,N,N-trimethylethan-1-aminium chloride; Carbachol, European Pharmacopoeia (EP) Reference Standard; Carbamoylcholine chloride, >=98% (titration), crystalline; Carbachol, United States Pharmacopeia (USP) Reference Standard; Carbachol, Pharmaceutical Secondary Standard; Certified Reference Material
Clinical Status
Approved
PubChem CID
5831
Formula
C6H15ClN2O2
Canonical SMILES
C[N+](C)(C)CCOC(=O)N.[Cl-]
InChI
1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
InChIKey
AIXAANGOTKPUOY-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
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3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 182.65 Topological Polar Surface Area 52.3
XlogP N.A. Complexity 117
Heavy Atom Count 11 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Carbachol 0.01% solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Sodium Chloride; Potassium Chloride; Calcium Chloride; Magnesium Chloride; Sodium Acetate; Trisodium Citrate Dihydrate; Sodium Hydroxide; Hydrochloric Acid; Water
                   Dosage Form Solution
                   Company Alcon Laboratories
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium acetate DIG Info Carbonic anhydrase I (Ki = 10800 nM) [1]
Potassium chloride DIG Info Carbonic anhydrase IV (Ki = 90000 nM) [2]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [3]
References
1 Carbonic anhydrase inhibitors. Inhibition of the -class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives. Bioorg Med Chem Lett. 2011 Apr 15; 21(8):2521-6.
2 Characterization and anions inhibition studies of an -carbonic anhydrase from the teleost fish Dicentrarchus labrax. Bioorg Med Chem. 2011 Jan 15; 19(2):744-8.
3 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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