RAPACURONIUM

Search structure
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GG1LBM463S

Structure
InChI Key HTIKWNNIPGXLGM-YLINKJIISA-N
Smile C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1
InChI
InChI=1S/C37H61N2O4/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2/h6,27-33,35H,1,7-25H2,2-5H3/q+1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H61N2O4+
Molecular Weight 597.91
AlogP 6.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 55.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 43.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135845
ChEMBL CHEMBL1201352
DrugBank DB04834
DrugCentral 3520
FDA SRS GG1LBM463S
PubChem 5311399
SureChEMBL SCHEMBL16977930
ZINC ZINC000003943562
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