Primary record
Etrasimod
- CAS
- 1206123-37-6
- PubChem CID
- 44623998
- SMILES
- C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CC[C@@H]5CC(=O)O)C(F)(F)F
- Molecular Formula
- C26H26F3NO3
- Molecular Weight
- 457.492
- Exact Mass
- 457.1865
- InChI
- InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
- InChIKey
- MVGWUTBTXDYMND-QGZVFWFLSA-N
- LogP
- 6.9278
- TPSA
- 62.32
Names and synonyms
- Etrasimod
- APD334
- etrasimodum
- Velsipity
- 1206123-37-6
- Etrasimod [USAN]
- APD-334
- Etrasimod (USAN)
- Etrasimod(APD334)
- ETRASIMOD [INN]
- RefChem:139296
- 6WH8495MMH
- APD-334(FREE ACID)
- ETRASIMOD [WHO-DD]
- UNII-6WH8495MMH
- CHEMBL3358920
- GTPL9331
- orb1296117
- SCHEMBL1919311
- SCHEMBL29359174
- C26H26F3NO3
- APD 334
- CHEBI:229230
- MFCD28502134
- MVGWUTBTXDYMND-QGZVFWFLSA-N
- DTXSID201358909
- GLXC-10642
- 1206123-37-6 (free base)
- BCP19558
- EX-A1633