FOSAPREPITANT DIMEGLUMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2008)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: D35FM8T64X
Parent Compound: FOSAPREPITANT

Structure
InChI Key VRQHBYGYXDWZDL-OOZCZQCLSA-N
Smile CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI
InChI=1S/C23H22F7N4O6P.2C7H17NO5/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38);2*4-13H,2-3H2,1H3/t12-,19+,20-;2*4-,5+,6+,7+/m100/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H56F7N6O16P
Molecular Weight 1004.84
AlogP 4.37
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 129.91
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurokinin 1 receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Postoperative Nausea and Vomiting 4 D020250 ClinicalTrials
Nausea 3 D009325 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials

Related Entries

Scaffolds

Parent

Side Effects from Label

Side effects Relative Frequency (%) Labels
Investigations Body temperature increased 10.6
Gastrointestinal disorders Nausea 8.6
Gastrointestinal disorders Constipation 8.5
Gastrointestinal disorders Nausea 8.5
Skin and subcutaneous tissue disorders Pruritus 8.4
Gastrointestinal disorders Constipation 7.6
Skin and subcutaneous tissue disorders Pruritus 7.6
Nervous system disorders Headache 6.5
Investigations Body temperature increased 5.9
Gastrointestinal disorders Flatulence 5.8
Vascular disorders Hypotension 5.7
Nervous system disorders Headache 5.0
Gastrointestinal disorders Hiccups 4.6
Vascular disorders Hypotension 4.6
Respiratory, thoracic and mediastinal disorders Mediastinal disorder 4.6
Cardiac disorders Bradycardia 4.4
Blood and lymphatic system disorders Anaemia 4.3
Gastrointestinal disorders Flatulence 4.1
Cardiac disorders Bradycardia 3.9
Gastrointestinal disorders Vomiting 3.9
Nervous system disorders Insomnia 3.3
Vascular disorders Hypertension 3.2
Infections and infestations Urinary tract infection 3.2
Blood and lymphatic system disorders Anaemia 3.0
Gastrointestinal disorders Hiccups 2.9
Respiratory, thoracic and mediastinal disorders Mediastinal disorder 2.9
Gastrointestinal disorders Vomiting 2.5
Infections and infestations Urinary tract infection 2.3
Vascular disorders Hypertension 2.1
Nervous system disorders Insomnia 2.1
General disorders and administration site conditions Decreased appetite 2.0
General disorders and administration site conditions Asthenia 1.5
General disorders and administration site conditions Asthenia 1.4
General disorders and administration site conditions Fatigue 1.4
Gastrointestinal disorders Eructation 1.0
General disorders and administration site conditions Asthenia 0.9
General disorders and administration site conditions Fatigue 0.9
Gastrointestinal disorders Dyspepsia 0.8
Blood and lymphatic system disorders Anaemia 0.6
Psychiatric disorders Anxiety 0.5
General disorders and administration site conditions Decreased appetite 0.5
Gastrointestinal disorders Hiccups 0.5
Gastrointestinal disorders Dyspepsia 0.4
General disorders and administration site conditions Asthenia 0.2
Gastrointestinal disorders Hiccups 0.2
Gastrointestinal disorders Eructation 0.1

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
18.51
Gastrointestinal disorders
11.13
Injury, poisoning and procedural complications
8.7
Vascular disorders
7.75
Respiratory, thoracic and mediastinal disorders
7.6
Skin and subcutaneous tissue disorders
7.47
Nervous system disorders
5.49
Cardiac disorders
5.16
Investigations
4.45
Immune system disorders
4.13
Blood and lymphatic system disorders
3.64
Metabolism and nutrition disorders
3.11
Infections and infestations
2.76
Psychiatric disorders
2.61
Musculoskeletal and connective tissue disorders
2.42

Cross References

Resources Reference
ChEBI 64311
ChEMBL CHEMBL1201782
EPA CompTox DTXSID50181095
FDA SRS D35FM8T64X
PubChem 135413537
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