[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] methanesulfonate
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![[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7bb824ced84a478d878abb69e6c40a17.png "[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] methanesulfonate")
[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] methanesulfonate
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CAS No:
50630-90-5
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Formula:
C31H38N2O6S
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Chemical Name:
[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] methanesulfonate
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Synonyms:
11,17,21-trihydroxy-6,16-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one-21-methanesulfonate;deacylcortivazol 21-mesylate;50630-90-5;Deacylcortivazol 21-mesylate;DTXSID10964866;11,17,21-Trihydroxy-6,16-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one-21-methanesulfonate;2'H-Pregna-2,4,6-trieno(3,2-c)pyrazol-20-one, 11,17-dihydroxy-6,16-dimethyl-21-((methylsulfonyl)oxy)-2'-phenyl-, (11beta,16alpha)-;2-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-oxoethyl methanesulfonate
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CAS No:
[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] methanesulfonate Basic Attributes
566.7 g/mol
566.24505811 g/mol
Drug Information
11,17,21-trihydroxy-6,16-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one-21-methanesulfonate
Computed Properties
Molecular Weight:566.7
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:566.24505811
Monoisotopic Mass:566.24505811
Topological Polar Surface Area:127
Heavy Atom Count:40
Complexity:1220
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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