API0232923

Fosnetupitant Chloride Hydrochloride

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CAS No.

1643757-72-5
Synonyms

Fosnetupitant chloride; 1643757-72-5; Fosnetupitant chloride hydrochloride
CHEMBL ID

CHEMBL3989919
Compound CID

86764535

Molecular Weight (g/mol)

761.5
Molecular Formula

C31H37Cl2F6N4O5P
InChI

InChI=1S/C31H35F6N4O5P.2ClH/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);2*1H
InChIKey

LBTQUZNIWCWBNN-UHFFFAOYSA-N
SMILES

CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)COP(=O)(O)O.Cl.[Cl-]
IUPAC Name

[4-[5-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoyl]-methylamino]-4-(2-methylphenyl)pyridin-2-yl]-1-methylpiperazin-1-ium-1-yl]methyl dihydrogen phosphate;chloride;hydrochloride
Exact Mass (Da)

760.1782817
Monoisotopic Mass (Da)

760.1782817

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