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Dorzolamide isomer-2 2ME
SpectraBase Compound ID Lv8fJYWlxkl
InChI InChI=1S/C12H20N2O4S3/c1-5-13-10-6-8(2)20(15,16)12-9(10)7-11(19-12)21(17,18)14(3)4/h7-8,10,13H,5-6H2,1-4H3
InChIKey DPOHQJMNLSIYRS-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 GK8T2hCJ7XC
Name Dorzolamide isomer-2 2ME
Classification Antiglaucoma agent
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Exact Mass 352.058520650 u
Formula C12H20N2O4S3
InChI InChI=1S/C12H20N2O4S3/c1-5-13-10-6-8(2)20(15,16)12-9(10)7-11(19-12)21(17,18)14(3)4/h7-8,10,13H,5-6H2,1-4H3
InChIKey DPOHQJMNLSIYRS-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(NCC)c2c(sc(c2)S(N(C)C)(=O)=O)S1(=O)=O
SPLASH splash10-0udi-3910000000-b9370518f1018985a49d
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_7424