skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1s,3s,4as,9ar)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(2,2,2-trifluoroethyl)acetamide

Preferred term

2-[(1s,3s,4as,9ar)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-(2,2,2-trifluoroethyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H23F4N3O5

inchi

  • InChI=1S/C23H23F4N3O5/c24-12-1-3-13(4-2-12)29-22(33)30-14-5-6-18-16(7-14)17-8-15(34-19(10-31)21(17)35-18)9-20(32)28-11-23(25,26)27/h1-7,15,17,19,21,31H,8-11H2,(H,28,32)(H2,29,30,33)/t15-,17-,19-,21+/m0/s1

inchikey

  • SJYXGOSVXNMHEN-WRGRXTPVSA-N

mass

  • 497.440

monoisotopicmass

  • 497.15738

smiles

  • C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)F)CO)CC(=O)NCC(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110318

Download this concept:

RDF/XML TURTLE JSON-LD