AG00IAOJ

603-50-9 | Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester)

AG00IAOJ

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CAS Number	603-50-9
Catalog Number	AG00IAOJ(AGN-PC-0SVUKA)
Chemical Name	Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester)
EC Number	210-044-4
IUPAC Name	[4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
InChI	InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3
InChI Key	KHOITXIGCFIULA-UHFFFAOYSA-N
MDL Number	MFCD00038039
Molecular Formula	C22H19NO4
Molecular Weight	361.3906
RTECS Number	SM8750000
SMILES	C(c1ccc(cc1)OC(=O)C)(c1ccc(cc1)OC(=O)C)c1ccccn1
UNII	10X0709Y6I
Synonyms	Agaroletten, Apo Bisacodyl, Apo-Bisacodyl, Bekunis Bisacodyl, Bicol, Bisac Evac, Bisac-Evac, Bisacodyl, Bisacodyl Tannex, Bisacodyl Uniserts, Bisacodyl, Bekunis, Bisacodyl, Fleet, Bisalax, Bisco Lax, Bisco Zitron, Bisco-Lax, Bisco-Zitron, Dulco Lax, Dulco lax perles, Dulco-Lax, Dulco-lax perles, Dulcolax, Dulcolax perles, Durolax, Fleet Bisacodyl, Florisan N, Lünolax, Laxagetten, Laxanin, Laxans ratiopharm, Laxans-ratiopharm, Laxbene, Laxysat Bürger, ratio Bisacodyl, ratio-Bisacodyl, Rytmil, Tannex, Bisacodyl, Ulcolax, Uniserts, Bisacodyl, bisacodyl, 603-50-9, Dulcolax, Brocalax, Bicol, Durolax, Fenilaxan, Dulcolan, Endokolat, Hillcolax, Sanvacual, Stadalax, Theralax, Eulaxan, Godalax, Ivilax, Laxadin, Laxans, Laxine, Laxorex, Neolax, Nigalax, Pyrilax, Telemin, Ulcolax, Zetrax, Sk-bisacodyl, Laxanin N, Bisacodylum, Bisacodilo, Deficol, LACO, LA96a, Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester), HalfLytely, Bisacodylum [INN-Latin], Bisacodilo [INN-Spanish], (Pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate, Bis(p-acetoxyphenyl)-2-pyridylmethane, Di-(p-acetoxyphenyl)-2-pyridylmethane, Di-(4-acetoxyphenyl)-2-pyridylmethane, MLS000069729, UNII-10X0709Y6I, 2-(4,4'-Diacetoxydiphenylmethyl)pyridine, C22H19NO4, HSDB 3016, (4,4'-Diacetoxydiphenyl)(2-pyridyl)methane, 4,4'-(2-Pyridylmethylene)diphenol diacetate, EINECS 210-044-4, BRN 0323727, 4,4'-(2-Pyridylmethylene)diphenol diacetate (ester), 4,4'-Diacetoxydiphenylpyridyl-2-methane, SMR000058226, MLS002701749, Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate (ester), Phenol, 4,4'-(2-pyridinylmethylene)bis-, 1,1'-diacetate, KHOITXIGCFIULA-UHFFFAOYSA-N, MFCD00038039, NSC614826, 10X0709Y6I, NCGC00016522-05, NCGC00016522-10, [4-[(4-acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate, AK116442, CAS-603-50-9, DSSTox_CID_2681, 4,4'-(2-pyridylmethylene)bisphenol diacetate, DSSTox_RID_76689, DSSTox_GSID_22681, Q-200726, Q-200727, (pyridin-2-ylmethylene)di-4,1-phenylene diacetate, SR-01000000233, 4-[(4-acetyloxyphenyl)-2-pyridylmethyl]phenyl acetate, 4,4'-(pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate, Bisacodyle, Spirolax, CCRIS 8864, Bisacodyl [USP:INN:BAN:JAN], Bisacodyl [USAN:INN:BAN:JAN], Bisacodyl,(S), Dulcolax (TN), Prestwick_780, Feen-a-Mint Tablets, Spectrum_000086, HalfLytely (Salt/Mix), Opera_ID_884, AC1L1DKN, Prestwick0_000419, Prestwick1_000419, Prestwick2_000419, Prestwick3_000419, Spectrum2_000149, Spectrum3_000318, Spectrum4_000256, Spectrum5_000898, CHEMBL942, Correctol Tablets, Caplets, NCIChal_000004, NCIMech_000456, cid_2391, REGID_for_CID_2391, SCHEMBL21044, BSPBio_000378, BSPBio_001916, KBioGR_000692, KBioSS_000506, DivK1c_000347, SPECTRUM1500147, SPBio_000258, SPBio_002317, Bisacodyl (JP17/USP/INN), BPBio1_000416, CHEBI:3125, DTXSID1022681, BDBM61400, CTK8F8189, HMS501B09, KBio1_000347, KBio2_000506, KBio2_003074, KBio2_005642, KBio3_001416, EBD8044, NINDS_000347, HMS1569C20, HMS1920G21, HMS2090K15, HMS2091O03, HMS2096C20, HMS2235I11, HMS3373L17, HMS3652E04, HMS3713C20, Pharmakon1600-01500147, BCP18567, HY-B0557, KS-00000FS0, ZINC3830321, Tox21_110472, Tox21_200338, CCG-35661, CCG-36442, NSC755914, s4047, SBB057015, STK293202, AKOS001599884, Tox21_110472_1, API0001726, CS-2667, DB09020, LS-2218, MCULE-8607347748, NSC-614826, NSC-755914, IDI1_000347, 4,4'-Diacetoxydiphenylpyrid-2-ylmethane, Bisacodyl, active ingredient of Viraplex, NCGC00016522-01, NCGC00016522-02, NCGC00016522-03, NCGC00016522-04, NCGC00016522-06, NCGC00016522-07, NCGC00016522-08, NCGC00016522-09, NCGC00016522-11, NCGC00016522-12, NCGC00023260-03, NCGC00023260-04, NCGC00023260-05, NCGC00023260-06, NCGC00257892-01, AC-24284, AJ-45755, AN-46334, AS-15820, NCI60_004954, Q941, SC-18411, ST024745, SBI-0051297.P003, 4,4-(2-Pyridylmethylene)diphenol diacetate, AX8117347, AB00051928, B1898, B5066, FT-0603486, ST24026365, SW196918-3, A14914, D00245, AB00051928-17, AB00051928_18, AB00051928_19, Bisacodyl, analytical standard, for drug analysis, A832704, Phenol, 4,4'-(2-pyridylmethylene)di-, diacetate, SR-01000000233-2, SR-01000000233-3, (pyridin-2-ylmethanediyl)dibenzene-4,1-diyl diacetate, BRD-K39987650-001-05-0, BRD-K39987650-001-15-9, Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate, Phenol,4'-(2-pyridinylmethylene)bis-, diacetate (ester), [4-[(4-acetoxyphenyl)-(2-pyridyl)methyl]phenyl] acetate, 4-[[4-(acetyloxy)phenyl](2-pyridyl)methyl]phenyl acetate, Bisacodyl, European Pharmacopoeia (EP) Reference Standard, [4-[(4-acetyloxyphenyl)-pyridin-2-yl-methyl]phenyl] ethanoate, 4-[[4-(Acetyloxy)phenyl](2-pyridinyl)methyl]phenyl acetate #, Bisacodyl, United States Pharmacopeia (USP) Reference Standard, acetic acid [4-[(4-acetyloxyphenyl)-(2-pyridinyl)methyl]phenyl] ester, Bisacodyl for peak identification, European Pharmacopoeia (EP) Reference Standard, Bisacodyl for system suitability, European Pharmacopoeia (EP) Reference Standard, Dulcolax; 4,4'-(2-Pyridylmethylene)bisphenol diacetate; [4-[(4-Acetyloxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate, Perilax, Videx, Agaroletten, Laxagetten, Broxalax, Bisalax, Laxanin, Laxbene, Lunolax, Modane, Rytmil, Dulcolax perles, ratio Bisacodyl, ratio-Bisacodyl, Fleet Bisacodyl, Laxysat Burger, Apo Bisacodyl, Apo-Bisacodyl, Bisacodyl tannex, Bisco Zitron, Bisco-Zitron, Mixture Name, Bisac Evac, Bisac-Evac, Florisan N, Laxans ratiopharm, Laxans-ratiopharm, Bisco Lax, Bisco-Lax, Dulco Lax, Dulco lax perles, Dulco-Lax, Dulco-lax perles, Bekunis Bisacodyl, Bisacodyl, Fleet, Bisacodyl Uniserts, Tannex, Bisacodyl, Evac-Q-Tabs, Bisacodyl, Bekunis, Uniserts, Bisacodyl, D07IEF, CID2391, Bisacodyl [USAN:BAN:INN:JAN], C22-H19-N-O4, ACN-048739, CS-O-11613, Bis[3-(triethoxysilyl)propyl]tetrasulfide, 5-21-05-00415 (Beilstein Handbook Reference), D001726, Fenol, 4,4'-(2-bis piridinilmetileno)-, 1,1'-diacetato, 30652-11-0,

Complexity	457
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	361.131g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	361.397g/mol
Monoisotopic Mass	361.131g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number