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Molecule record

N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide

C24H30ClN7O4S

548.07 g/mol

Loading structure

Molecular properties

Formula
C24H30ClN7O4S
Molar mass
548.07 g·mol−1
Exact mass
547.1768 Da
13
PubChem CID
10280735

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Aryl halide
Secondary amine
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 480449-70-5
  • 480449-70-5 (free base)
  • 912273-65-5
  • B01AF03
  • C24H30ClN7O4S
  • CHEBI:85973
  • CHEMBL1269025
  • DTXCID60119889
Show all 24 synonyms
  • DTXSID50197398
  • DU-176
  • DU-176b
  • EDOXABAN
  • EDOXABAN [INN]
  • EDOXABAN [MI]
  • Edoxaban (Standard)
  • Edoxaban (USAN/INN)
  • Edoxaban [USAN:INN]
  • Edoxaban [USAN]
  • MFCD13195544
  • NDU3J18APO
  • RefChem:58094
  • UNII-NDU3J18APO
  • edoxaban tosilate hydrochloride
  • edoxabanum

Structure identifiers

Canonical SMILES
CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
Isomeric SMILES
CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C
InChI
InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1
InChIKey
HGVDHZBSSITLCT-JLJPHGGASA-N
PubChem CID
10280735

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record