AG00ILKV

54965-24-1 | Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1)

AG00ILKV

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CAS Number	54965-24-1
Catalog Number	AG00ILKV(AGN-PC-0SIH5F)
Chemical Name	Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1)
EC Number	259-415-2
IUPAC Name	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI	InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChI Key	FQZYTYWMLGAPFJ-OQKDUQJOSA-N
MDL Number	MFCD00058321
Molecular Formula	C32H37NO8
Molecular Weight	563.6381
SMILES	OC(CC(=O)O)(CC(=O)O)C(=O)O.C1(=CC=CC=C1)/C(=C(CC)/C1=CC=CC=C1)/C1=CC=C(OCCN(C)C)C=C1
UNII	7FRV7310N6
Synonyms	Citrate, Tamoxifen, ICI 46,474, ICI 46474, ICI 47699, ICI-46,474, ICI-46474, ICI-47699, ICI46,474, ICI46474, ICI47699, Nolvadex, Novaldex, Soltamox, Tamoxifen, Tamoxifen Citrate, Tomaxithen, Zitazonium, Tamoxifen citrate, 54965-24-1, Istubal, Tamoxifen (Citrate), Zitazonium, UNII-7FRV7310N6, Tamoxifen citrate salt, ICI 46474 citrate, Farmifeno, Ginarsan, Jenoxifen, Ledertam, Nourytan, Noxitem, Oncotam, Tafoxen, Tamofen, Tamoplex, Tamoxasta, Tamoxifen Citrate (Nolvadex), Terimon, Zynoplex, Emblon, Nolgen, Noltam, Zemide, Genox, Tamax, Taxus, Tamox-Puren, 7FRV7310N6, Z-Tamoxifen citrate, MFCD00058321, NSC180973, NCGC00024928-06, CAS-54965-24-1, Tamoxifen citrate, 98%, ICI 46474, DSSTox_CID_1301, DSSTox_RID_76068, DSSTox_GSID_21301, CCRIS 6718, Caditam, Tamoxifencitrate, EINECS 259-415-2, ICI 46,474, SMR000677949, SR-01000075523, I.C.I. 46474 citrate, citro; tamoxifen, trans-1-(p-beta-Dimethylaminoethoxyphenyl)-1,2-diphenylbut-1-ene citrate, (Z)-2-(p-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1), 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid, Prestwick_458, Tamoxifen citrate [USAN:USP:JAN], Tamoxifen (Nolvadex), Tamoxifen Citrate,(S), Tamoxifen, citrate salt, AC1MBZ3O, Lopac-T-9262, Tamoxifen Z-isomer citrate, CHEMBL786, SCHEMBL6365, Tamoxifen-Citrate(Nolvadex), MLS001055370, MLS002154210, ARONIS23853, SPECTRUM1500557, Nolvadex (TN) (AstraZeneca), DTXSID8021301, Tamoxifen citrate (JP17/USP), HMS500M20, Tamoxifen citrate salt, >=99%, FQZYTYWMLGAPFJ-OQKDUQJOSA-N, HMS1568M14, HMS1921C13, HMS2092K17, HMS2095M14, HMS2232E08, HMS3263B08, HMS3675P04, HMS3712M14, Pharmakon1600-01500557, (2-{4-[1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid, (Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate, 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt), Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), hydroxypropane-1,2,3-tricarboxylate, Tox21_110938, Tox21_202070, Tox21_300274, Tox21_501203, CCG-39629, N,N-Dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)ethylamine citrate, NSC757345, s1238, s1972, SBB080554, AKOS005111126, Tox21_110938_1, CS-1852, KS-5046, LP01203, NSC-180973, NSC-757345, Ethylamine, 2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, citrate (Z)-, NCGC00016206-01, NCGC00016206-02, NCGC00016206-03, NCGC00016206-04, NCGC00016206-05, NCGC00016206-06, NCGC00024928-02, NCGC00024928-23, NCGC00094450-01, NCGC00094450-02, NCGC00094450-03, NCGC00094450-04, NCGC00254000-01, NCGC00259619-01, NCGC00261888-01, CPD000677949, HY-13757, LS-68202, M936, SAM002564256, SC-13399, BCP0726000223, AB0006810, AB2000015, EU-0101203, SW219368-1, (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy), D00966, J10303, K-9859, T 9262, 965T241, Q-201776, SR-01000075523-1, SR-01000075523-3, SR-01000075523-5, SR-01000075523-6, SR-01000075523-10, (Z)-1-(4-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene Citrate, Tamoxifen citrate, European Pharmacopoeia (EP) Reference Standard, (Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine citrate, Tamoxifen citrate, United States Pharmacopeia (USP) Reference Standard, (Z)-2-[ p-(1,2-Diphenyl-1-butenyl)phenoxy]- N, N-dimethylethylamine citrate (1:1), (Z)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-ethanamine cirtrate (1:1), Tamoxifen citrate for performance test, European Pharmacopoeia (EP) Reference Standard, (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate, (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate, {2-[4-((1Z)-1,2-diphenylbut-1-enyl)phenoxy]ethyl}dimethylamine, 2-hydroxypropa ne-1,2,3-tricarboxylic acid, 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid, Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate, Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1), Ethanamine,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), Nolvadex, Soltamox, tamoxifen, Valodex, Kessar, Apo-Tamox, Nolvadex (TN), citalopram hydrobromide, 1400W dihydrochloride, -N,N-dimethylethanamine 2-, C26H29NO.xC6H8O7, CHEBI:9397, Tamoxifen citrate [USAN:JAN], C26H29NO.C6H8O7, C32H37NO8, ICI-46474, NSC 180973, CID2733525, CS-O-31029, C26-H29-N-O.C6-H8-O7, C26-H29-N-O.x-C6-H8-O7, B1394, T2510, A10885, (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene, TMX, 10540-29-1, Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), (z)-2-(4-(1,2-diphenyl-1-butenyl)phenoxyl)-n,n-dimethyl-ethanamine-citrate, (Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate, {2-[4-(1,2-diphenyl-1-buten-1-yl)phenoxy]ethyl}dimethylamine 2-hydroxy-1,2,3-propanetricarboxylate (salt), 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-ethanamine,2-hydroxy-1,2,3-propanetricarboxylate (1:1), 214358-33-5, 59729-32-7, 7244-97-5, Etanamina, 2-[4-[(1Z)]-1,2-difenil-1-buten-1-il fenoxi]-N,N-dimetil-, 2-hidroxi-1,2,3-propanotricarboxilato (1: 1), Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),

Complexity	690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	563.252g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	563.647g/mol
Monoisotopic Mass	563.252g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	145A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H362-H302-H350-H360
Packing Group
Precautionary statements	P201-P280-P301+P312+P330-P308+P313-P260h-P263-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number