fosnetupitant (Akynzeo) Report issue

Small molecule Approved FDA

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Chemistry

Mol. Mass

688.5976

ALogP

5.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=C(C=C(N=C2)N3CC[N+](C)(COP(O)([O-])=O)CC3)C4=C(C)C=CC=C4
  • InChIKey: HZIYEEMJNBKMJH-UHFFFAOYSA-N
    1S/C31H35F6N4O5P/c1-20-8-6-7-9-24(20)25-17-27(40-10-12-41(5,13-11-40)19-46-47(43,44)45)38-18-26(25)39(4)28(42)29(2,3)21-14-22(30(32,33)34)16-23(15-21)31(35,36)37/h6-9,14-18H,10-13,19H2,1-5H3,(H-,43,44,45)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989917   ChEMBL
fosnetupitant

CHEMBL3989919   ChEMBL
fosnetupitant chloride hydrochloride

T672P80L2S   NCATS
fosnetupitant *

Netupitant/palonosetron   Wikipedia

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