2-Pyrrolidinone, 1-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(phenylsulfonyl)-2H-1-benzopyran-4-yl)-, trans-

Base Information

• Chemical Name: 2-Pyrrolidinone, 1-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(phenylsulfonyl)-2H-1-benzopyran-4-yl)-, trans-
• CAS No.: 128148-93-6
• Molecular Formula: C21H23 N O5 S
• Molecular Weight: 401.476
• DSSTox Substance ID: DTXSID40155826
• Nikkaji Number: J781.141A
• Wikidata: Q83023806
• Mol file: 128148-93-6.mol

Synonyms:128148-93-6;2-Pyrrolidinone, 1-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(phenylsulfonyl)-2H-1-benzopyran-4-yl)-, trans-;Rilmakalim hemihydrate;SCHEMBL9293211;DTXSID40155826;LS-138722;1-[[(3R,4S)-3,4-Dihydro-2,2-dimethyl-3-hydroxy-6-(phenylsulfonyl)-2H-1-benzopyran]-4-yl]pyrrolidin-2-one

Chemical Property of 2-Pyrrolidinone, 1-(3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(phenylsulfonyl)-2H-1-benzopyran-4-yl)-, trans-

Chemical Property:

• Vapor Pressure: 3.94E-16mmHg at 25°C
• Boiling Point: 618°C at 760 mmHg
• Flash Point: 327.5°C
• Density: 1.333g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 401.12969401
• Heavy Atom Count: 28
• Complexity: 694

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N4CCCC4=O)O)C
• Isomeric SMILES: CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N4CCCC4=O)O)C

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