Inogatran

Inogatran (INN)[1] is a low molecular weight peptidomimetic thrombin inhibitor. Inogatran was developed for the potential treatment of arterial and venous thrombotic diseases.[2]

Inogatran

Names
IUPAC name 2-{[(2R)-1-[(2S)-2-[(4-Carbamimidamidopropyl)carbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino}acetic acid
Other names N-[(1R)-2-Cyclohexyl-1-[[(2S)-2-[(3-guanidinopropyl)carbamoyl]piperidino]carbonyl] ethyl]glycine
Identifiers
CAS Number	155415-08-0
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL114715
ChemSpider	59397
PubChem CID	66005
UNII	428409I84L^Y
CompTox Dashboard (EPA)	DTXSID50165895
InChI InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1 Key: CDPROXZBMHOBTQ-SJORKVTESA-N
SMILES NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(=O)O
Properties
Chemical formula	C21H38N6O4
Molar mass	438.6 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

References

1. "International Nonproprietary Names for Pharmaceutical Substances (INN). Recommended International Nonproprietary Names (Rec. INN): List 35" (PDF). World Health Organization. p. 13. Retrieved 2 December 2016.
2. Teger-Nilsson, AC; Bylund, R; Gustafsson, D; Gyzander, E; Eriksson, U (January 1997). "In Vitro Effects of Inogatran, a Selective Low Molecular Weight Thrombin Inhibitor". Thrombosis Research. 85 (2): 133–45. doi:10.1016/s0049-3848(96)00230-7. PMID 9058487.