AG007UPU

112093-28-4 | 4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol

AG007UPU

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CAS Number	112093-28-4
Catalog Number	AG007UPU(AGN-PC-0NXTR5)
Chemical Name	4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
IUPAC Name	4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
InChI	InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
InChI Key	MHJBZVSGOZTKRH-IZHYLOQSSA-N
MDL Number	MFCD09840374
Molecular Formula	C25H27NO2
Molecular Weight	373.4874
SMILES	OC1=CC=C(/C(C2=CC=C(OCCNC)C=C2)=C(C3=CC=CC=C3)CC)C=C1
UNII	46AF8680RC
Synonyms	4-hydroxy-N-demethyltamoxifen, 4-hydroxy-N-desmethyltamoxifen, 4-hydroxy-N-desmethyltamoxifen, (Z)-isomer, endoxifen, Z-endoxifen, Endoxifen, 112093-28-4, Z-Endoxifen, 4-Hydroxy-N-desmethyltamoxifen, (E/Z)-Endoxifen, Endoxifen Z-Isomer, UNII-46AF8680RC, N-Desmethyl-4-hydroxytamoxifen, 110025-28-0, 4-Hydroxy-N-desmethyl-tamoxifen, CHEBI:80555, 46AF8680RC, 4OHNDtam, W-200834, N-Desmethyl-4-hydroxy Tamoxifen (approx. 1:1 E/Z Mixture), (Z)-4-Hydroxy-N-desmethyl Tamoxifen (contains up to 10% E isomer), 4-hydroxy-N-desmethyltamoxifen, (Z)-isomer, (Z)-Endoxifen, Endoxifen(E/Z=1:1), 4-hydroxy-N-desmethyl tamoxifen, CHEMBL1093458, SCHEMBL10107920, GTPL10203, DTXSID80149880, EX-A645, MHJBZVSGOZTKRH-IZHYLOQSSA-N, 114828-90-9, BCP15866, EX-A1970, BDBM50435003, HY-18719E, MFCD09840374, NSC746494, NSC749798, ZINC22056306, ACN-053042, NSC-746494, NSC-749798, (E/Z)-N-desmethyl-4-hydroxy Tamoxifen, NCGC00386714-01, B7481, CS-0028594, X5886, C16547, (Z)-4-Hydroxy-N-Desmethyl Tamoxifen (Endoxifen), N-Desmethyl-4-hydroxytamoxifen, mixture of isomers, 4-Hydroxy-N-Desmethyl Tamoxifen ((E/Z)-Endoxifen), J-002363, 4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol, (E/Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol, (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol, (Z)-4-(1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol, 4-[(~{Z})-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol, 4-[1-[4-[2-(METHYLAMINO)ETHOXY]PHENYL]-2-PHENYL-1-BUTENYL]PHENOL, N-Desmethyl-4-hydroxytamoxifen, mixture of isomers, analytical standard, 4-[(1Z)-1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol, 4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol, N-Methyl-2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenoxy]ethanamine, Phenol, 4-(1-(4-(2-(methylamino)ethoxy]phenyl)-2-phenyl-1-butenyl)-, (Z)-, Racemic Endoxifen, 4-Hydroxy-N-demethyltamoxifen, D0W4EB, C25H27NO2, C25-H27-N-O2, CID10090750, Endoxifen (topical formulation, cancer), C055492, (Z)-4-Hydroxy-N-desmethyl Tamoxifen (mixture of isomers), Endoxifen (topical formulation, cancer), Jina Pharmaceuticals, Tamoxifen metabolite (topical formulation, cancer), Jina Pharmaceuticals, phenol, 4-((1Z)-1-(4-(2-(methylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)-, Phenol, 4-[(1Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-,

Complexity	467
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	373.204g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	373.496g/mol
Monoisotopic Mass	373.204g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H400
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

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