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Rivaroxaban
SpectraBase Compound ID F6IB7KQnQe2
InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)
InChIKey KGFYHTZWPPHNLQ-UHFFFAOYSA-N
Mol Weight 435.88 g/mol
Molecular Formula C19H18ClN3O5S
Exact Mass 435.06557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gFsTwUMq0
Name Rivaroxaban
CAS Registry Number 366789-02-8
Classification Anticoagulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 435.065569561 u
Formula C19H18N3O5ClS
InChI InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)
InChIKey KGFYHTZWPPHNLQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 435.882 g/mol
SMILES C1C(N(CCO1)c1ccc(cc1)N1C(OC(C1)CNC(=O)c1ccc(s1)Cl)=O)=O
SPLASH splash10-0a4v-3921000000-23831db465563e70fa14
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_9147