Aprepitant

Aprepitant is an antiemetic.

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Catalog Number API0232309
Alternative Name(s) Aprepitant; 170729-80-3; MK-0869
Research Area API
Molecular Formula C23H21F7N4O3
CAS# 170729-80-3
Inchi 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-/m1/s1
Inchi Key ATALOFNDEOCMKK-OITMNORJSA-N
SMILES C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
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Aprepitant

Aprepitant is a selective neurokinin-1 (NK-1) receptor antagonist.

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Catalog Number API170729803
Research Area Active Pharmaceutical Ingredients
Molecular Formula C23H21F7N4O3
CAS# 170729-80-3
SMILES C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
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