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(1S,2R,1'S,2'R)-doxacurium

CHEBI:CHEBI_59822

Definition

The (1S,2R,1'S,2'R)-diastereoisomer of doxacurium.

Chemical Information

Molecular Formula
C56H78N2O16
Molecular Mass
1035.22230
Charge
+2
SMILES
COc1cc(C[C@H]2c3c(CC[N@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCc4cc(OC)c(OC)c(OC)c4[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c(OC)c3OC)cc(OC)c1OC
InChI
InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2/t39-,40-,57-,58-/m0/s1
InChIKey
GBLRQXKSCRCLBZ-AJSYEDJNSA-N

Alternative Names

  • (1S,2R,1'S,2'R)-2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxypropane-3,1-diyl)]bis[6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolinium]
  • (1S,2R;1S,2R)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium, succinate (2:1)

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

core#notation
CHEBI:59822

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#id
CHEBI:59822
core#notation
CHEBI:59822
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_enantiomer_of
http://purl.obolibrary.org/obo/CHEBI_59820
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_4706
owl#someValuesFrom
t255827
owl#annotatedSource
t255476