Presocyl

2-acetyloxybenzoic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Also Known As: Presocyl|Aspirin mixture with chloroquine and prednisolone|2-acetyloxybenzoic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one|2-acetyloxybenzoic acid,4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine,(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one|2-acetyloxybenzoic acid; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one|Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-, mixt. with 2-(acetyloxy)benzoic acid and N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine

Molecular Formula	C48H62ClN3O9
Molecular Weight	859.4175 g/mol
LogP	7.6783
Topological Polar Surface Area	187.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	859.4175
Monoisotopic Mass	859.4175
Heavy Atoms	61
Complexity	1240.0

Chemical Identifiers

CAS Number	78456-99-2
SMILES	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(=O)OC1=CC=CC=C1C(=O)O.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O
InChIKey	AJJJNPUIWCOZQN-OJJGEMKLSA-N