化学式

CAS号

78456-99-2

IUPAC Name

2-acetyloxybenzoic acid;4-N-(7-氯喹啉-4-基)-1-N,1-N-二乙基-1,4-二胺;(8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-17-(2-羟基乙酰基)-10,13-二甲基-7,8,9,11,12,14,15,16-八氢-6H-环戊并[a]菲-3-酮 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

InChI

InChI=1S/C21H28O5.C18H26ClN3.C9H8O4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2-5H,1H3,(H,11,12)/t14-,15-,16-,18+,19-,20-,21-;;/m0../s1

InChI Key

AJJJNPUIWCOZQN-OJJGEMKLSA-N

Canonical SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(=O)OC1=CC=CC=C1C(=O)O.CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O

别名

• Presocyl
• Aspirin mixture with chloroquine and prednisolone
• 78456-99-2
• 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