FOSNETUPITANT CHLORIDE HYDROCHLORIDE

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Search structure


Synonyms	08-PNET Fosnetupitant chloride Fosnetupitant chloride hydrochloride Fosnetupitant dihydrochloride
Status
Molecule Category	Salt-form
UNII	ZR36MFA9P8

Structure


InChI Key	LBTQUZNIWCWBNN-UHFFFAOYSA-N
Smiles	Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.[Cl-]
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C31H37Cl2F6N4O5P
Molecular Weight	761.53
AlogP	5.74
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	106.03
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	47.0

Pharmacology

Mechanism of Action	Action	Reference
Neurokinin 1 receptor antagonist	ANTAGONIST	FDA

Target Conservation


Protein: Neurokinin 1 receptor Description: Substance-P receptor Organism : Homo sapiens P25103 ENSG00000115353

Cross References

Resources	Reference
ChEMBL	CHEMBL3989919
FDA SRS	ZR36MFA9P8
PubChem	86764535
SureChEMBL	SCHEMBL16343762

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025