CAS No. 112648-68-7

 

Product Information

Chemical Formula: C29H40N2O3
Molecular Weight:464.64
Synonyms:U-73122; 1-[6-[[(17B)-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL]AMINO]HEXYL]-1H-PYRROLE-2,5-DIONE; 1-[6-((17BETA-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL)AMINO)HEXYL]-1H-PYRROLE-2,5-DIONE; U-73122 98%; 1-[6-[((17?)-3-methoxyestra-1,3,5[10]-trien-17-yl)amino]hexyl]-1h-pyrrole-2,5-dione; U-73122 hydrate; (17?)-3-Methoxy-17-[6-[(2,5-dihydro-2,5-dioxo-1H-pyrrol)-1-yl]hexylamino]estra-1,3,5(10)-triene; 1-[6-[[3-Methoxyestra-1,3,5(10)-triene-17?-yl]amino]hexyl]-1H-pyrrole-2,5-dione
MDL No.:MFCD00893825
EINECS / EC No.:N/A
Pubchem CID:104794
IUPAC Name:1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione
Standard InchI:InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
InchI Key:LUFAORPFSVMJIW-ZRJUGLEFSA-N
SMILES:CC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC
Appearance:off-white solid
Melting Point:N/A
Boiling Point:617.1 °C at 760 mmHg
Density (Theoretical):1.16 g/cm3
Solubility:ethanol: 0.7 mg/mL
Refractive Index:1.589

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Flash Point:327 °C
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07