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Dorzolamide isomer-1 2ME
SpectraBase Compound ID 4fWixeIqLwr
InChI InChI=1S/C12H20N2O4S3/c1-5-14(4)10-6-8(2)20(15,16)12-9(10)7-11(19-12)21(17,18)13-3/h7-8,10,13H,5-6H2,1-4H3
InChIKey ZGKXCIOEHZFKFW-UHFFFAOYSA-N
Mol Weight 352.48 g/mol
Molecular Formula C12H20N2O4S3
Exact Mass 352.058521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UjQGdWtZw
Name Dorzolamide isomer-1 2ME
Classification Antiglaucoma agent
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Exact Mass 352.058520650 u
Formula C12H20N2O4S3
InChI InChI=1S/C12H20N2O4S3/c1-5-14(4)10-6-8(2)20(15,16)12-9(10)7-11(19-12)21(17,18)13-3/h7-8,10,13H,5-6H2,1-4H3
InChIKey ZGKXCIOEHZFKFW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.482 g/mol
Related CAS Registry Number(s) 120279-96-1
SMILES C1(C)CC(N(CC)C)c2c(sc(c2)S(NC)(=O)=O)S1(=O)=O
SPLASH splash10-000i-3920000000-7ec67d0b12be5176c8f8
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7426