ALOGLIPTIN BENZOATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: Salt
UNII: EEN99869SC
Parent Compound: ALOGLIPTIN

Structure
InChI Key KEJICOXJTRHYAK-XFULWGLBSA-N
Smile Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1
InChI
InChI=1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N5O4
Molecular Weight 461.52
AlogP 0.39
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.05
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase IV inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent
Mixture
Mixture

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
12.99
General disorders and administration site conditions
9.38
Skin and subcutaneous tissue disorders
8.88
Immune system disorders
7.19
Nervous system disorders
6.78
Vascular disorders
6.04
Respiratory, thoracic and mediastinal disorders
5.7
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
5.43
Cardiac disorders
4.89
Metabolism and nutrition disorders
4.52
Investigations
4.29
Injury, poisoning and procedural complications
3.54
Hepatobiliary disorders
3.37
Musculoskeletal and connective tissue disorders
3.24
Endocrine disorders
2.67
Infections and infestations
2.43
Psychiatric disorders
2.33
Renal and urinary disorders
2.06

Cross References

Resources Reference
ChEBI 72324
ChEMBL CHEMBL227529
EPA CompTox DTXSID20582095
FDA SRS EEN99869SC
PubChem 16088021
SureChEMBL SCHEMBL476231
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