Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

(2R,4S)-ketoconazole

PropertiesImageOccurences in reactions
MNX_IDMNXM30890Image of MNXM30890
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC26H28Cl2N4O4
charge0
mass530.14876
referencechebi:48336
InChIKeyXMAYWYJOQHXEEK-OZXSUGGESA-N
InChIInChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
SMILESCC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:48336
chebi:48336 		(2R,4S)-ketoconazole
(2R,4S)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
envipath:...80e7b1d8a7f6
envipathM:...80e7b1d8a7f6 		compound 0061818