17B-(N-Tert-Butylcarboxamido)Androsta-3,5-Diene-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C25H37NO3
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
Molecular Mass 399.566 g·mol−1
Heat of Formation -729.1 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 518.8 Å 3
Surface Area 405.32 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (17-beta)-17-(((1,1-dimethylethyl)amino)carbonyl)androsta-3,5-diene-3-carboxylic acid
  • (8s,9s,10r,13s,14s,17s)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
  • (8s,9s,10r,13s,14s,17s)-17-[(tert-butylamino)-oxomethyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
  • 17-beta-n-t-butylcarboxamide-androst-3,5-diene-3-carboxylic acid
  • 17beta-(tert-butylcarbamoyl)androsta-3,5-diene-3-carboxylic acid
  • androsta-3,5-diene-3-carboxylic acid, 17-(((1,1-dimethylethyl)amino)carbonyl)-, (17beta)-
  • d01134
  • epristeride
  • epristeride (jan/usan/inn)
  • ono 9302
  • ono-9302
  • sk&f-105657
  • skf 105657
CAS Number(s)
  • 119169-78-7
InChIKey VAPSMQAHNAZRKC-PQWRYPMOSA-N
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