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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > rocuronium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > rocuronium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > quaternary ammonium ion > rocuronium
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > rocuronium
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > rocuronium
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > rocuronium
... > chemical entity > molecular entity > ion > cation > organic cation > quaternary ammonium ion > rocuronium
... > chemical entity > molecular entity > ion > organic ion > organic cation > quaternary ammonium ion > rocuronium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > quaternary ammonium ion > rocuronium
organooxygen compound > ester > carboxylic ester > acetate ester > rocuronium
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > rocuronium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid fundamental parent > androstane > rocuronium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic fundamental parent > natural product fundamental parent > steroid fundamental parent > androstane > rocuronium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > oxazinane > morpholines > rocuronium
organic heterocyclic compound > organonitrogen heterocyclic compound > oxazinane > morpholines > rocuronium
organic heterocyclic compound > organic heteromonocyclic compound > oxazinane > morpholines > rocuronium

Preferred term

rocuronium  

Type

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

Broader concept

alt_id

  • CHEBI:340257

charge

  • +1

formula

  • C32H53N2O4

has_parent_hydride

has_role

inchi

  • InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

inchikey

  • YXRDKMPIGHSVRX-OOJCLDBCSA-N

mass

  • 529.77420

monoisotopicmass

  • 529.39998

smiles

  • [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(CCCC3)CC=C)[C@@]1(C)C[C@@H]([C@@H](O)C2)N1CCOCC1

subset

  • 3_STAR

synonym EXACT

  • (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:8884

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