AG00FBGH

68047-06-3 | 4-Hydroxytamoxifen

AG00FBGH

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CAS Number	68047-06-3
Catalog Number	AG00FBGH(AGN-PC-0TQYIV)
Chemical Name	4-Hydroxytamoxifen
IUPAC Name	4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
InChI	InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChI Key	TXUZVZSFRXZGTL-QPLCGJKRSA-N
MDL Number	MFCD00468090
Molecular Formula	C26H29NO2
Molecular Weight	387.5140
SMILES	CN(CCOC1=CC=C(C=C1)\C(=C(\CC)/C1=CC=CC=C1)\C1=CC=C(C=C1)O)C
UNII	95K54647BZ
Synonyms	4'-hydroxytamoxifen, 4-hydroxy-tamoxifen, 4-hydroxytamoxifen, 4-monohydroxytamoxifen, 4-OHT hydrotamoxifen, 4OH-tamoxifen, hydroxytamoxifen, 4-Hydroxytamoxifen, Afimoxifene, (Z)-4-Hydroxytamoxifen, Hydroxytamoxifen, 4-Monohydroxytamoxifen, Tamogel, 68047-06-3, trans-4-Hydroxytamoxifen, Ici 79280, 68392-35-8, 4-OH-TAM, 65213-48-1, (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol, Z-4-hydroxytamoxifen, UNII-95K54647BZ, CHEMBL489, ICI 79,280, BRN 4910749, TAMOXIFEN, 4-HYDROXY-, (Z)-, (E/Z)-4-Hydroxy Tamoxifen, MLS000069742, C26H29NO2, CHEBI:44616, 95K54647BZ, SMR000058939, 4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol, 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol, 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-,, trans-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)phenol, 4-Hydroxy-(Z)-tamoxifen, para-Hydroxytamoxifen, [3H]4-OHT, Tamoxifen metabolite B, 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol, Phenol, 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (Z)-, cis-4-Hydroxytamoxifen, (Z)-4-Hydroxy Tamoxifen, SR-01000759243, Afimoxifene [USAN:INN], Afimoxifene,, CCRIS 8580, (Z)-4-(1-[4-(Dimethylaminoethoxy)phenyl]-2-phenyl-1-butenyl)phenol, 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol, 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-but-1-enyl]phenol, 4-hydroxytamoxifen, (E)-isomer, 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol, 4-[(1z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenyl-1-buten-1-yl]phenol, 4-OH tamoxifen, Tamogel (TN), 4-Hydroxy Tamoxifen, Afimoxifene [USAN], 4-OHT 4-hydroxy,, 2bj4, Opera_ID_600, 4-Hydroxy tamoxifen-d5, Afimoxifene (USAN/INN), DSSTox_CID_2384, (E/Z)-4-Hydroxytamoxifen, AC1L9N5F, SCHEMBL9189, DSSTox_RID_76567, BIDD:PXR0104, DSSTox_GSID_22384, 4-Hydroxy-(E/Z)-tamoxifen, MLS001077346, BIDD:ER0193, cid_449459, DTXSID7022384, (Z)-4-OHT, BDBM20608, (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)-phenyl)-2-phenylbut-1-en-1-yl)phenol, TXUZVZSFRXZGTL-QPLCGJKRSA-N, HMS2231F20, ZINC902197, 164365-20-2, Tox21_200943, 9980AB, HSCI1_000353, MFCD00278780, MFCD00468090, 4-{1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenol, AKOS016010361, DB04468, Phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (E)-, NCGC00164399-01, NCGC00164399-02, NCGC00258497-01, AJ-24397, AN-16583, AN-38194, (Z)-4-Hydroxytamoxifen, >=98% Z isomer, AX8049419, CAS-68047-06-3, LS-104443, LS-176663, C05011, D06551, 392H358, SR-01000759243-3, SR-01000759243-5, BRD-K04210847-001-01-1, UNII-17197F0KYM component TXUZVZSFRXZGTL-QPLCGJKRSA-N, (Z)-4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol, 4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol, 4-{(1Z)-1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-but-1-enyl}-phenol, 4-Hydroxy-tamoxifen, tamoxifen, 4OH-tamoxifen, 4'-hydroxytamoxifen, 4-OHT, 4-OHT hydrotamoxifen, D09NST, -4-HYDROXYTAMOXIFEN, UNII-17197F0KYM, 4-hydroxytamoxifen, (Z)-isomer, 17197F0KYM, C26-H29-N-O2, CID449459, B5421, C016601, C475919, OHT, phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, phenol, 4-((1Z)-1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-buten-1-yl)-, 1077-29-8, 174592-47-3,

Complexity	493
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	387.22g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	387.523g/mol
Monoisotopic Mass	387.22g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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