Inogatran

Base Information

• Chemical Name: Inogatran
• CAS No.: 155415-08-0
• Molecular Formula: C21H38 N6 O4
• Molecular Weight: 438.5642
• UNII: 428409I84L
• DSSTox Substance ID: DTXSID50165895
• Nikkaji Number: J627.488I
• Wikipedia: Inogatran
• Wikidata: Q6036513
• NCI Thesaurus Code: C166712
• Pharos Ligand ID: X87LV5ZAKYVF
• ChEMBL ID: CHEMBL114715
• Mol file: 155415-08-0.mol

Synonyms:H 314-27;H-314-27;H314-27;inogatran;N-(2-(2-(((3-((aminoiminomethyl)amino)propyl)amino)carbonyl)-1-piperidinyl)-1-(cyclohexylmethyl)-2-oxo-ethyl)glycine

Chemical Property of Inogatran

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 2.16±0.10(Predicted)
• Flash Point: °C
• PSA: 164.13000
• Density: 1.36g/cm³
• LogP: 2.73010
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 438.29545371
• Heavy Atom Count: 31
• Complexity: 631

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CC(C(=O)N2CCCCC2C(=O)NCCCN=C(N)N)NCC(=O)O
• Isomeric SMILES: C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCN=C(N)N)NCC(=O)O