AG00IAHH

590-63-6 | Bethanechol Chloride

AG00IAHH

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CAS Number	590-63-6
Catalog Number	AG00IAHH(AGN-PC-07C3AU)
Chemical Name	Bethanechol Chloride
EC Number	209-686-8
IUPAC Name	2-carbamoyloxypropyl(trimethyl)azanium;chloride
InChI	InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H
InChI Key	XXRMYXBSBOVVBH-UHFFFAOYSA-N
MDL Number	MFCD00055224
Molecular Formula	C7H17ClN2O2
Molecular Weight	196.6751
SMILES	CC(OC(N)=O)C[N+](C)(C)C.[Cl-]
Synonyms	Bethanechol, Bethanechol Chloride, Bethanecol, Chloride, Bethanechol, Duvoid, Hermes, Myo, Myo Hermes, Myocholine, Myotonachol, Myotonine, PMS Bethanechol Chloride, PMS-Bethanechol Chloride, Urecholine, Urocarb, Bethanechol chloride, 590-63-6, Urecholine, Myocholine, Besacholine, Mechotane, Mechothane, Mecothane, Myotonachol, Myotonine, Mictone, Mictrol, Uro-Carb, Urecholine chloride, Duvoid, Muscaran, Carbamylmethylcholine chloride, Carbamyl-beta-methylcholine chloride, Bethaine choline chloride, Bethanechol (chloride), Trimethyl(2-carbamoyloxypropyl)ammonium chloride, (2-Hydroxypropyl)trimethylammonium chloride carbamate, 2-Carbamoyloxypropyltrimethylammonium chloride, Myotonine chloride, beta-Methylcholine chloride urethan, EINECS 209-686-8, beta-Methyl carbachol chloride, NSC 30783, 2-((Aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride, Carbaminoyl, beta-methylcholine chloride, MLS000028675, 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride, CHEBI:3085, 2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium Chloride, 1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride, MFCD00055224, SMR000058680, 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride, DSSTox_CID_2676, EN300-51035, 2-carbamoyloxypropyl(trimethyl)ammonium chloride, (2-Carbamoyloxypropyl)trimethylammonium chloride, DSSTox_RID_76686, DSSTox_GSID_22676, C7H16N2O2, (+-)-(2-Hydroxypropyl)trimethylammonium chloride carbamate, UNII-H4QBZ2LO84, AMMONIUM, (2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE, CARBAMATE, 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride, (+-)-, CPD000058680, SR-01000000282, NCGC00163217-01, 2-carbamoyloxypropyl(trimethyl)azanium;chloride, H4QBZ2LO84, 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1), 1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1), Bethanechol chloride [BAN:JAN], Urecholine (TN), Bethanechol chloride [USP:BAN:JAN], Bethanechol(chloride), AC1Q1RXM, regid855684, Opera_ID_1125, CAS-590-63-6, AC1L1XL7, CHEMBL1768, SCHEMBL37393, Ammonium, chloride, carbamate, MLS001148071, MLS006011984, SPECTRUM1500146, DTXSID2022676, .beta.-Methyl carbachol chloride, CTK4E5567, HMS500I21, HY-B0406A, Carbamyl-beta-methylcholine chlori, Bethanechol chloride (JP17/USP), carbamyl-|A-methylcholine chloride, HMS1571G08, HMS1920G19, HMS2091M19, HMS2098G08, HMS2232D09, HMS3259L15, HMS3260N10, HMS3374D01, HMS3656G21, HMS3715G08, Pharmakon1600-01500146, NSC30783, Tox21_112028, Tox21_500304, BG0106, Carbamyl- beta-methylcholine chloride, CCG-38936, KM0280, NSC-30783, NSC755913, s2455, SBB070369, .beta.-Methylcholine chloride urethan, AKOS006230324, Tox21_112028_1, Carbamyl-beta-methylcholine chloride.cd, CS-2506, LP00304, MCULE-3425585639, NC00660, NSC-755913, KS-00001F76, NCGC00015245-10, NCGC00093753-01, NCGC00093753-02, NCGC00093753-03, NCGC00093753-04, NCGC00093753-05, NCGC00260989-01, ( inverted exclamation markA)-Bethanechol, AK343311, AN-46182, AS-13371, BC204056, CC-25388, I014, LS-18505, SAM002548931, SAM002564198, SY112089, Carbaminoyl, .beta.-methylcholine chloride, WLN: ZVOY1&1K1&1&1 &Q &G, AB2000570, carbamyl-B-methylcholinechloride*crystalline, EU-0100304, FT-0622944, SW197254-3, MFCD00055224 (97%), 2-carbamoyloxypropyl(trimethyl)azanium chloride, C 5259, C08202, D01000, J10305, 2-aminocarbonyloxypropyl(trimethyl)azanium chloride, A832139, C-09023, I14-2242, SR-01000000282-2, SR-01000000282-4, SR-01000000282-7, 1-methyl-2-(trimethylamino)ethyl aminooate, chloride, [1-(trimethylaminiumyl)propan-2-yl] carbamate chloride, Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride), 2-[(aminocarbonyl)oxy]-N,N,N-trimethylpropan-1-aminium chloride, 2-[(AMINOCARBONYL) OXY]-N,N,N-TRIMETHYL-1-PROPANAMINIUMCHLORIDE, bethanechol, null, Bethanecol, Urocarb, Myo Hermes, Hermes, Myo, Chloride, Bethanechol, PMS Bethanechol Chloride, PMS-Bethanechol Chloride, C7H17ClN2O2, C7-H17-N2-O2.Cl, carbamyl-B-methylcholine chloride, CID11548, CS-O-11611, 1-Propanaminium,N,N-trimethyl-, chloride, Bethanechol chloride, 98% - 25G 25g, B4828, D018723, BTC, 1-Propanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, 2-[(Aminocarbonyl)oxy]-N,N,N-trimethyl-1-propanaminium chloride (1:1), 674-38-4, N/A,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.098g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.675g/mol
Monoisotopic Mass	196.098g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number