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Substance Name: Etrasimod arginine [USAN]
RN: 1206123-97-8
UNII: MXE5EMA09L
InChIKey: GVPVVOSNDUAUKM-BPGOJFKZSA-N

Classification Code

  • Treatment of Autoimmune and Inflammatory Diseases

Molecular Formula

  • C26-H26-F3-N-O3.C6-H14-N4-O2

Molecular Weight

  • 631.692
 
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Names and Synonyms

Name of Substance

  • Etrasimod arginine [USAN]

Synonyms

  • APD334 L-Arginine
  • Etrasimod arginine
  • L-arginine mono((3R)-7-((4-cyclopentyl-3-(trifluoromethyl)phenyl)methoxy)-1,2,3,4-tetrahydrocyclopenta(b)indol-3-yl)acetate
  • UNII-MXE5EMA09L

Systematic Name

  • L-Arginine, (3R)-7-((4-cyclopentyl-3-(trifluoromethyl)phenyl)methoxy)-1,2,3,4-tetrahydrocyclopent(b)indole-3-acetate (1:1)

Registry Numbers

CAS Registry Number

  • 1206123-97-8

FDA UNII

  • MXE5EMA09L

System Generated Number

  • 1206123978

Structure Descriptors

InChI

1S/C26H26F3NO3.C6H14N4O2/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;7-4(5(11)12)2-1-3-10-6(8)9/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t17-;4-/m10/s1

InChIKey

GVPVVOSNDUAUKM-BPGOJFKZSA-N

Smiles

N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C[C@H]1CCc2c1[nH]c3ccc(OCc4ccc(C5CCCC5)c(c4)C(F)(F)F)cc23