gantacurium Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

Back

Chemistry

Mol. Mass

993.59

ALogP

7.84

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COc1cc2CC[N@@+](C)(CCCOC(=O)\C(=C\C(=O)OCCC[N@@+]3(C)CCc4cc(OC)c(OC)cc4[C@@H]3c5cc(OC)c(OC)c(OC)c5)\Cl)[C@H](Cc6cc(OC)c(OC)c(OC)c6)c2cc1OC
  • InChIKey: ZQLDXCSTJFLRPY-RWBXLJKRSA-N
    InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50+,55-,56+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1182997   ChEMBL
gantacurium *

CHEMBL275321   ChEMBL
gantacurium chloride

Gantacurium chloride   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue