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atracurium besylate

Go to external page http://purl.obolibrary.org/obo/CHEBI_2915

The bisbenzenesulfonate salt of atracurium.

Term info

Label

atracurium besylate

Synonyms
  • 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] bisbenzenesulfonate
database cross reference
Subsets

3_STAR

IUPAC NAME
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] bisbenzenesulfonate [ IUPAC ]

INN
atracurii besilas [ ChemIDplus ]

INN
besilato de atracurio [ ChemIDplus ]

INN
besilate d'atracurium [ ChemIDplus ]

INN
atracurium besilate [ KEGG_DRUG ]

charge

0

formula

C65H82N2O18S2, C53H72N2O12.(C6H5O3S)2

has obo namespace

chebi_ontology

has related synonym

atracurii besilas, atracurium besilate, besilate d'atracurium, besilato de atracurio

id

CHEBI:2915

inchi

InChI=1S/C53H72N2O12.2C6H6O3S/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;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2

inchikey

XXZSQOVSEBAPGS-UHFFFAOYSA-L

mass

1243.47900

monoisotopicmass

1242.50041

smiles

[O-]S(=O)(=O)c1ccccc1.[O-]S(=O)(=O)c1ccccc1.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