Cortisuzol

3-[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-oxoethoxy]carbonylbenzenesulfonic acid

Also Known As: Cortisuzol|Cortisuzolum|Cortisuzol [INN:DCF]|CORTISUZOL [INN]|3-[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-oxoethoxy]carbonylbenzenesulfonic acid|11.BETA.,17,21-TRIHYDROXY-6,16.ALPHA.-DIMETHYL-2'-PHENYL-2'H-PREGNA-2,4,6-TRIENO(3,2-C)PYRAZOL-20-ONE 21-(M-SULFOBENZOATE)|11beta,17,21-Trihydroxy-6,16alpha-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one 21-(m-sulfobenzoate)|11beta,17-Dihydroxy-6,16alpha-dimethyl-2 -phenyl-21-(3-sulfobenzoyloxy)-2 H-pregnano[3,2-c]pyrazole-4,6-dien-20-one|2'H-PREGNA-2,4,6-TRIENO(3,2-C)PYRAZOL-20-ONE, 11,17-DIHYDROXY-6,16-DIMETHYL-2'-PHENYL-21-((3-SULFOBENZOYL)OXY)-, (11.BETA.,16.ALPHA.)-|2'H-Pregna-2,4,6-trieno[3,2-c]pyrazol-20-one, 11,17-dihydroxy-6,16-dimethyl-2'-phenyl-21-[(3-sulfobenzoyl)oxy]-, (11.beta.,16.alpha.)-|3-({2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-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-oxoethoxy}carbonyl)benzene-1-sulfonic acid|3-({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-oxoethoxy}carbonyl)benzene-1-sulfonic acid

Molecular Formula	C37H40N2O8S
Molecular Weight	672.25055 g/mol
LogP	4.8412
Topological Polar Surface Area	156.02 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	672.25055
Monoisotopic Mass	672.25055
Heavy Atoms	48
Complexity	2001.3007

Chemical Identifiers

CAS Number	50801-44-0
SMILES	C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C6=CC(=CC=C6)S(=O)(=O)O)O)C)O)C)C=NN5C7=CC=CC=C7)C