- Double-bond stereo
2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine
O(c1ccc(cc1)/C(c2ccccc2)=C(\c3ccccc3)CC)CCN(C)C CopyCopied
InChI=1S/C26H29NO/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/h5-18H,4,19-20H2,1-3H3/b26-25- CopyCopied
NKANXQFJJICGDU-QPLCGJKRSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Tamoxifen [Wiki]
(Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine
[Z]-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine
10540-29-1 [RN]
1-p-b-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
2-{4-[(1Z)-1,2-Diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
2YR&UYR&R DO2N1&1 &&Z Form [WLN]
cis-Tamoxifen
Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-
ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-
Istubal [Wiki]
tamoxifene [French]
tamoxifeno [Spanish]
tamoxifenum [Latin]
Valodex [Wiki]
Zemide
10540-29-1
(2)-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine citrate
(Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene
(Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine
(Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine
(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine
1-para-β-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
1-p-β-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
2-(4-((1Z)-1,2-DIPHENYL-1-BUTENYL)PHENOXY)-N,N-DIMETHYL-ETHANAMINE
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine
2062020 [Beilstein]
234-118-0 [EINECS]
54965-24-1 [RN]
Apo-Tamox
Citofen
Crisafeno
Diemon
Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)-
Istubol
Nolvadex
Oncomox
Retaxim
Tamizam
Tamoxen
Zitazonium
AIDS008877 [DBID]
AIDS-008877 [DBID]
C07108 [DBID]
CCRIS 3275 [DBID]
CHEBI:9396 [DBID]
HSDB 6782 [DBID]
NCGC00024928-01 [DBID]
nchembio.76-comp1 [DBID]
nchembio732-comp3 [DBID]
NSC 180973 [DBID]
NSC180973 [DBID]
T5648_SIGMA [DBID]
Tocris-0999 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 468.20 (Adapted Stein & Brown method) Melting Pt (deg C): 180.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.46E-008 (Modified Grain method) MP (exp database): 97 deg C Subcooled liquid VP: 1.73E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1936 log Kow used: 6.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.024594 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.49E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.737E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.30 (KowWin est) Log Kaw used: -7.736 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.036 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7535 Biowin2 (Non-Linear Model) : 0.7952 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1092 (months ) Biowin4 (Primary Survey Model) : 3.1106 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0182 Biowin6 (MITI Non-Linear Model): 0.0091 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1212 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.31E-005 Pa (1.73E-007 mm Hg) Log Koa (Koawin est ): 14.036 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.13 Octanol/air (Koa) model: 26.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.824 Mackay model : 0.912 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 240.9239 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.533 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1965.599854 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 0.840 Min Fraction sorbed to airborne particulates (phi): 0.868 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.668E+006 Log Koc: 6.885 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.153 (BCF = 1.422e+004) log Kow used: 6.30 (estimated) Volatilization from Water: Henry LC: 4.49E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.513E+006 hours (1.047E+005 days) Half-Life from Model Lake : 2.742E+007 hours (1.142E+006 days) Removal In Wastewater Treatment: Total removal: 93.09 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.31 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000148 0.0138 1000 Water 2.24 1.44e+003 1000 Soil 34.6 2.88e+003 1000 Sediment 63.2 1.3e+004 0 Persistence Time: 4.21e+003 hr
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