AG007AFY

3717-88-2 | Flavoxate hydrochloride

AG007AFY

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CAS Number	3717-88-2
Catalog Number	AG007AFY(AGN-PC-0RDD2G)
Chemical Name	Flavoxate hydrochloride
EC Number	223-066-4
IUPAC Name	2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
InChI	InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H
InChI Key	XOEVKNFZUQEERE-UHFFFAOYSA-N
MDL Number	MFCD00072099
Molecular Formula	C24H26ClNO4
Molecular Weight	427.9205
NSC Number	114649
RTECS Number	DJ2450000
SMILES	O=C(C1=C2C(C(C(C)=C(C3=CC=CC=C3)O2)=O)=CC=C1)OCCN4CCCCC4.Cl
UNII	9C05J6089W
Synonyms	Bladuril, Flavoxate, Flavoxate Hydrochloride, Hydrochloride, Flavoxate, Spasuret, Urispas, Uronid, Flavoxate hydrochloride, 3717-88-2, Flavoxate HCL, Urispas, DW-61, Bladderon, Peflate, Spasmal, Flavoxate (hydrochloride), DW 61 (flavoxate), NSC-114649, UNII-9C05J6089W, Flavoxate hydrochloride, Rec 7/0040, CHEBI:5089, Rec-7-0040, MFCD00072099, 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochloride, 9C05J6089W, Piperidinoethyl-3-methylflavone-8-carboxylate hydrochloride, Spasuret hydrochloride, 2-Piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride, C24H26ClNO4, DSSTox_CID_27764, DSSTox_RID_82541, DSSTox_GSID_47784, Verrispasmin amp., 3-Methyl-4-oxo-2-phenyl-4H-benzopyran-8-carboxylic acid 2-piperidinyl ethyl ester, 3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester hydrochloride, AK 123, NSC114649, NCGC00016636-01, CAS-3717-88-2, flavoxate-hcl, SR-01000872667, 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride, Prestwick_884, Flavoxate hydrochloride [USAN:USP:JAN], AC1L9B0J, Rec-7-0040 HCl, MLS002154247, SCHEMBL124540, CHEMBL1200875, DTXSID1047784, CTK8B3835, HY-B0549A, KS-00000XSH, AOB5638, 1-Piperidinoethanol, hydrochloride, HMS1568B06, BCP13298, Tox21_110537, ANW-43270, s4027, AKOS025310107, Flavoxate hydrochloride (JP17/USAN), Tox21_110537_1, AC-1093, API0002707, CCG-220242, CS-2652, RL03419, DW-61;Rec-7-0040;DW61, NCGC00016636-05, AN-15251, AS-12321, BC222362, CC-28434, SMR000499576, ACM1189678430, AB0011722, TL8002737, TR-015131, F0717, FT-0658191, FT-0668549, SW197005-3, D00718, J10335, 27814-EP2269989A1, 27814-EP2298767A1, 27814-EP2298772A1, 27814-EP2308839A1, 27814-EP2314587A1, Flavoxate hydrochloride, >=98% (HPLC), solid, C-34896, J-521367, SR-01000872667-1, WLN: T66 BO EVJ CR& D1 JVO2- AT6NTJ &GH, 4H-1-Benzopyran-8-carboxylic acid, 2-piperidinoethyl ester, hydrochloride, Flavoxate hydrochloride, European Pharmacopoeia (EP) Reference Standard, Flavoxate hydrochloride, United States Pharmacopeia (USP) Reference Standard, 1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium chloride, 2-(1-piperidyl)ethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate hydrochloride, 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride, 2-Piperidinoethyl-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 2-(1-piperidinyl)ethyl ester, hydrochloride, flavoxate, Spasuret, Urispadol, Genurin, Urispas (TN), CABAZITAXEL, Flavoxate-d4 Hydrochloride, CCRIS 1950, C24H25NO4.ClH, EINECS 223-066-4, C24-H25-N-O4.Cl-H, NSC 114649, REC 7-0040, Flavoxate hydrochloride [USAN:JAN], CID441345, ACN-040069, CS-O-11651, B3433, 1-Piperidineethanol, 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate, hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-piperidinoethyl ester, hydrochloride, Flavoxate hydrochloride, 99%, a muscarinic AChR antagonist - 25G 25g, 183133-96-2, 895519-90-1,

Complexity	631
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	427.155g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	427.925g/mol
Monoisotopic Mass	427.155g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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