[(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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[(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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CAS No:
171752-56-0
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Formula:
C22H25NO4S
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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
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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
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CAS No:
[(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
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
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