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CAS Number: 681492-22-8
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CAS Number
681492-22-8
PubChem CID
6480466
Molecular Formula
C25H25F3N4O6
Molecular Weight
534.5 g/mol
Exact Mass
534.172619
InChIKey
XDAOLTSRNUSPPH-XMMPIXPASA-N
IUPAC Name
(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILES String
C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Delamanid (CAS 681492-22-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C25H25F3N4O6 and molecular weight 534. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Sodium-dependent serotonin transporter (Homo sapiens) — 2 assays; Sodium-dependent noradrenaline transporter (Homo sapiens) — 2 assays; Prostaglandin G/H synthase 1 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 7 assays; Cytochrome P450 2B6 (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Sodium-dependent serotonin transporter
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.7
Experimental evidence source: ChEMBL
Sodium-dependent noradrenaline transporter
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.89
Experimental evidence source: ChEMBL
Prostaglandin G/H synthase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.55
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 7 qualifying assays · 2 documents
Experimental evidence source: ChEMBL
Cytochrome P450 2B6
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Delamanid is identified by CAS 681492-22-8, with molecular formula C25H25F3N4O6, molecular weight 534.5, InChIKey XDAOLTSRNUSPPH-XMMPIXPASA-N.
ChEMBL contains qualifying experimental assay evidence associated with Sodium-dependent serotonin transporter, Sodium-dependent noradrenaline transporter, Prostaglandin G/H synthase 1, Cytochrome P450 3A4, Cytochrome P450 2B6. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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