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Home > Encyclopedia > [(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate

[(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate

[(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate structure

[(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate 

structure
  • CAS No:

    171752-56-0

  • Formula:

    C22H25NO4S

  • Chemical Name:

    [(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate

  • Synonyms:

    Adrogolide;UNII-YC3281G42A;171752-56-0;YC3281G42A;(5aR, 11bS) 4,5,5a,6,7,11b-Hexahydro-2-propylbenzo(f)thienol(2,3c)quinoline-9,10-diol diacetate (ester);Adrogolide [INN];SCHEMBL50927;CHEMBL2104655;DTXSID30169159;Q27294442;(5aR,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydrobenzo[f]thieno[2,3-c]quinoline-9,10-diyl diacetate;(5aR,11bS)-4,5,5a,6,7,11b-Hexahydro-2-propylbenzo(f)thienol(2,3-c)quinoline-9,10-diol diacetate (ester);4,5,5abeta,6,7,11balpha-Hexahydro-2-propyl-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol diacetate

[(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate Basic Attributes

399.5 g/mol

399.15042945 g/mol

YC3281G42A

DTXSID30169159

Characteristics

92.9 Ų

Computed Properties

Molecular Weight:399.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:399.15042945
Monoisotopic Mass:399.15042945
Topological Polar Surface Area:92.9
Heavy Atom Count:28
Complexity:599
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate

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