Chemical Name | 1S,2R,3R Aprepitant |
---|---|
CAT No. | CS-O-13148 |
CAS Registry# | 1242175-34-3 |
Status | |
Category | Impurities |
Hazardous | This is not a Hazardous Compound |
COA | View Sample COA |
MSDS | View Sample MSDS |
Controlled | No |
Controlled | No |
---|---|
Parent API | Aprepitant |
Therapeutic | Anti-Cancer / Oncology |
Smileys | O=C1NC(CN(CCO2)[C@H](C3=CC=C(F)C=C3)[C@H]2O[C@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)=NN1 |
Canonical Smiles | CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F |
InchIKey | ATALOFNDEOCMKK-NXXCRTJYSA-N |
Inchl | InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20+/m0/s1 |
IUPAC | 3-[[(2R,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one |
Hazardous | No |
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