2H-1-Benzopyran-5-carboxamide, 3-(dicyclobutylamino)-8-fluoro-3,4-dihydro-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), monohydrate

Base Information

• Chemical Name: 2H-1-Benzopyran-5-carboxamide, 3-(dicyclobutylamino)-8-fluoro-3,4-dihydro-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), monohydrate
• CAS No.: 177255-04-8
• Molecular Formula: C₂₂H₃₁FN₂O₉
• Molecular Weight: 486.49877
• DSSTox Substance ID: DTXSID00938915
• Mol file: 177255-04-8.mol

Synonyms:177255-04-8;2H-1-Benzopyran-5-carboxamide, 3-(dicyclobutylamino)-8-fluoro-3,4-dihydro-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), monohydrate;DTXSID00938915;C18H23FN2O2.C4H6O6.H2O;C18-H23-F-N2-O2.C4-H6-O6.H2-O;2,3-Dihydroxybutanedioic acid--3-(dicyclobutylamino)-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboximidic acid--water (1/1/1)

Chemical Property of 2H-1-Benzopyran-5-carboxamide, 3-(dicyclobutylamino)-8-fluoro-3,4-dihydro-, (3R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), monohydrate

Chemical Property:

• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 486.20135873
• Heavy Atom Count: 34
• Complexity: 572

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)N(C2CCC2)C3CC4=C(C=CC(=C4OC3)F)C(=O)N.C(C(C(=O)O)O)(C(=O)O)O.O
• Isomeric SMILES: C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O