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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > etrasimod(1-)

Preferred term

etrasimod(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C26H25F3NO3

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)/p-1/t17-/m1/s1

inchikey

  • MVGWUTBTXDYMND-QGZVFWFLSA-M

is_conjugate_base_of

mass

  • 456.486

monoisotopicmass

  • 456.17920

smiles

  • [O-]C(=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

  • [(3R)-7-{[4-cyclopentyl-3-(trifluoromethyl)benzyl]oxy}-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate

synonym RELATED

  • APD334 anion
  • etrasimod anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229232

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