doxacurium (nuromax) Report issue

Small molecule Approved FDA
ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

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Chemistry

Mol. Mass

1035.24

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
  • InChIKey: GBLRQXKSCRCLBZ-UHFFFAOYSA-N
    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
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1237123   ChEMBL
doxacurium *

CHEMBL1237099   ChEMBL
doxacurium chloride

P40015Y3WW   NCATS
doxacurium *

Doxacurium chloride   Wikipedia

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