FOSNETUPITANT

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
UNII: T672P80L2S

Structure
InChI Key HZIYEEMJNBKMJH-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
InChI
InChI=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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H35F6N4O5P
Molecular Weight 688.61
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

Indications

Mesh Heading Maximum Phase Reference
Nausea; Vomiting Phase 3 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1703748-89-3
ChEMBL CHEMBL3989917
DrugBank DB14019
FDA SRS T672P80L2S
PubChem 71544786
SureChEMBL SCHEMBL18691167
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