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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium compound > organoammonium salt > etrasimod arginine

Preferred term

etrasimod arginine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H26F3NO3.C6H14N4O2

has_part

has_role

inchi

  • 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

mass

  • 631.697

monoisotopicmass

  • 631.29815

smiles

  • N[C@@H](CCCNC(N)=N)C(O)=O.OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1

subset

  • 3_STAR

synonym EXACT

  • L-arginine--[(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy}-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid (1/1)

synonym RELATED

  • APD334 arginine
  • APD 334 L-arginine
  • APD334 L-arginine
  • etrasimod L-arginine
  • L-arginine, (3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopent[b]indole-3-acetate (1:1)
  • L-arginine salt of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
  • PF-07915503
  • PF-07915503-94
  • PF-07915503-94-0003
  • Velsipity

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229231

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