(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
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(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
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CAS No:
167354-41-8
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Formula:
C32H31F2N3O2
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Chemical Name:
(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
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Synonyms:
(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol;Zosuquidar;(2R)-Anti-5-[3-[4-(10,11-difluoromethanodibenzosuber-5-yl)piperazin-1-yl]-2-hydroxypropoxy]quinoline hydrochloride;Unii-ab5K82X98y;Zosuquidar [inn];LY335979; ZOSUQUIDAR;CS-251;LY335979; LY 335979; LY-335979
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CAS No:
(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol Basic Attributes
527.61
527.60
DTXSID9057894
white to beige
Characteristics
48.8 Ų
1.36
690.5±55.0 °C(Predicted)
H2O: 4mg/mL, clear (warmed)
13.94±0.20(Predicted)
-20°C
(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol Use and Manufacturing
Treatment of multidrug resistance (modulator of Pgp resistance).
Computed Properties
Molecular Weight:527.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:527.23843356
Monoisotopic Mass:527.23843356
Topological Polar Surface Area:48.8
Heavy Atom Count:39
Complexity:806
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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