Structure via PubChem · Public domain (PubChem)
inogatran
Sign in to saveInogatran (INN) is a low molecular weight peptidomimetic thrombin inhibitor. Inogatran was developed for the potential treatment of arterial and venous thrombotic diseases.
Chemical data
- Formula
- C21H38N6O4
- Molecular weight
- 438.6 g/mol
- IUPAC name
- 2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid
- SMILES
- C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCN=C(N)N)NCC(=O)O
- InChIKey
- CDPROXZBMHOBTQ-SJORKVTESA-N
- XLogP
- -1.2
- Polar surface area
- 163 Ų
- H-bond donors
- 5
- H-bond acceptors
- 6
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 438.295
Show 4 more facts
- canonical SMILES
- C1CCC(CC1)CC(C(=O)N2CCCCC2C(=O)NCCCN=C(N)N)NCC(=O)O
- isomeric SMILES
- C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCN=C(N)N)NCC(=O)O
- chemical formula
- C₂₁H₃₈N₆O₄
- Commons category
- Inogatran
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
1 sectionsContents
- References
{{chembox | ImageFile = Inogatran.svg | ImageClass = skin-invert-image | ImageSize = 275px | ImageAlt = | IUPACName = 2-{[(2R)-1-[(2S)-2-[(4-Carbamimidamidopropyl)carbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino}acetic acid | OtherNames = N-[(1R)-2-Cyclohexyl-1-[[(2S)-2-[(3-guanidinopropyl)carbamoyl]piperidino]carbonyl]ethyl]glycine
| Section1 =
Excerpted from Wikipedia’s “inogatran” article, available under the CC BY-SA 4.0 licence.