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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 ion derivative > quaternary ammonium ion > atracurium
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > atracurium
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > atracurium
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > atracurium
... > chemical entity > molecular entity > ion > cation > organic cation > quaternary ammonium ion > atracurium
... > chemical entity > molecular entity > ion > organic ion > organic cation > quaternary ammonium ion > atracurium
... > 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 > atracurium

Preferred term

atracurium  

Type

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

Broader concept

alt_id

  • CHEBI:340391
  • CHEBI:406485

charge

  • +2

formula

  • C53H72N2O12

has_role

inchi

  • InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2

inchikey

  • YXSLJKQTIDHPOT-UHFFFAOYSA-N

mass

  • 929.14500

monoisotopicmass

  • 928.50743

smiles

  • COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC

subset

  • 3_STAR

synonym EXACT

  • 2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]
  • Atracurium
  • ATRACURIUM

synonym RELATED

  • 1-[(3,4-dimethoxyphenyl)methyl]-2-[3-({5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl}propanoyl)oxy]pentyl}oxy)-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2914

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