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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > haloperidol glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > haloperidol glucuronide

Preferred term

haloperidol glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31ClFNO8

inchi

  • InChI=1S/C27H31ClFNO8/c28-18-7-5-17(6-8-18)27(38-26-23(34)21(32)22(33)24(37-26)25(35)36)11-14-30(15-12-27)13-1-2-20(31)16-3-9-19(29)10-4-16/h3-10,21-24,26,32-34H,1-2,11-15H2,(H,35,36)/t21-,22-,23+,24-,26-/m0/s1

inchikey

  • ZFNLYKVTHNLKNZ-AMWBNRJOSA-N

mass

  • 551.990

monoisotopicmass

  • 551.17222

smiles

  • ClC1=CC=C(C2(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)CCN(CC2)CCCC(=O)C4=CC=C(F)C=C4)C=C1

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-6-[4-(4-chlorophenyl)-1-[4-(4-luorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185622

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