- 7 of 7 defined stereocentres
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
O=C(NC(C)(C)C)[C@@H]2[C@]1(CC[C@H]3[C@H]([C@@H]1CC2)CC[C@H]4NC(=O)\C=C/[C@]34C)C CopyCopied
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 CopyCopied
DBEPLOCGEIEOCV-WSBQPABSSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-diméthyléthyl)-4a,6a-diméthyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-Butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-Butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
(5a,17b)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide
17b-(N-tert-Butylcarbamoyl)-4-aza-5a-androst-1-en-3-one
1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
98319-26-7 [RN]
Finasteride [Wiki] [USP]
(1S,2R,7R,10S,11S,14S,15S)-N-tert-butyl-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.02,7.011,15]heptadec-3-ene-14-carboxamide
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(1,1-dimethylethyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-Butyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,1
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
(5α,17β)-(1,1-Dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide
17b-(tert-Butylcarbamoyl)-4-aza-5a-androsten-3-one
17β-(N-tert-butylcarbamoyl)-4-aza-5 α-androst-1-en-3-one
4269024 [Beilstein]
4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5α,17β)-
Andozac
Chibro Proscar
Chibro-Proscar
D018120
Eucoprost
finasterida [Spanish] [INN]
Finasteride [USAN:BAN:INN] [INN] [USAN]
finasteridum [Latin]
Finastid
Finpecia
L-652,931
MK906
N-(2-methyl-2-propyl)-3-oxo-4-aza-5α-androst-1-ene-17β-carboxamide
N-(2-Methyl-2-propyl)-3-oxo-4-aza-5-α-androst-1-ene-17-β-carboxamide
N-tert-Butyl-3-oxo-4-aza-5¦Á-androst-1-en-17¦Â-carboxamide; N-(2-Methyl-2-propyl)-3-oxo-4-aza-5¦Á-androst-1-ene-17¦Â-carboxamide
N-tert-Butyl-3-oxo-4-aza-5α-androst-1-en-17β-carboxamide
N-tert-butyl-3-oxo-4-aza-5α-androst-1-ene-17β-carboxamide
Propecia [Wiki]
Propecia (TN)
Propeshia
PROSCAR [Wiki]
Proscar (TN)
Proscar, Propecia
Prostide
34202_RIEDEL [DBID]
BRN 4269024 [DBID]
CCRIS 7438 [DBID]
CHEBI:5062 [DBID]
D00321 [DBID]
F1293_SIGMA [DBID]
HSDB 6793 [DBID]
MK 0906 [DBID]
MK 906 [DBID]
MK-0906 [DBID]
MK-906 [DBID]
Prestwick0_000717 [DBID]
Prestwick1_000717 [DBID]
SPBio_002854 [DBID]
YM-152 [DBID]
ZINC03782599 [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) = 3.20 Log Kow (Exper. database match) = 3.03 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 550.46 (Adapted Stein & Brown method) Melting Pt (deg C): 236.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.79E-012 (Modified Grain method) MP (exp database): 252-254 deg C Subcooled liquid VP: 1.42E-009 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): 11.68 log Kow used: 3.03 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 300.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.77E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.010E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (exp database) Log Kaw used: -8.812 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.842 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4387 Biowin2 (Non-Linear Model) : 0.1122 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6311 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2608 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2549 Biowin6 (MITI Non-Linear Model): 0.0129 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3701 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): 1.89E-007 Pa (1.42E-009 mm Hg) Log Koa (Koawin est ): 11.842 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 15.8 Octanol/air (Koa) model: 0.171 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 0.932 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.5134 E-12 cm3/molecule-sec Half-Life = 0.193 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.312 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.306E+004 Log Koc: 4.725 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 = 1.633 (BCF = 42.96) log Kow used: 3.03 (expkow database) Volatilization from Water: Henry LC: 3.77E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.998E+007 hours (1.249E+006 days) Half-Life from Model Lake : 3.27E+008 hours (1.363E+007 days) Removal In Wastewater Treatment: Total removal: 5.95 percent Total biodegradation: 0.13 percent Total sludge adsorption: 5.83 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 0.0313 4.49 1000 Water 8.39 4.32e+003 1000 Soil 91.3 8.64e+003 1000 Sediment 0.255 3.89e+004 0 Persistence Time: 4.5e+003 hr
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