FOSNETUPITANT CHLORIDE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZR36MFA9P8

Structure
InChI Key LBTQUZNIWCWBNN-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 1 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nausea 4 D009325 FDA
Vomiting 4 D014839 FDA

Cross References

Resources Reference
ChEMBL CHEMBL3989919
FDA SRS ZR36MFA9P8
PubChem 86764535
SureChEMBL SCHEMBL16343762
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