PIPECURONIUM

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Synonyms
Status
Molecule Category Free-form
UNII 1N3O74HM92
EPA CompTox DTXSID20860643

Structure

InChI Key OWWLUIWOFHMHOQ-XGHATYIMSA-N
Smiles CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1
InChI
InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H62N4O4+2
Molecular Weight 602.91
AlogP 3.63
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 59.08
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 43.0

Related Entries

Cross References

Resources Reference
ChEBI 8230
ChEMBL CHEMBL1201206
DrugBank DB01338
DrugCentral 2183
FDA SRS 1N3O74HM92
Human Metabolome Database HMDB0015431
KEGG C07554
PharmGKB PA164764567
PubChem 50192
SureChEMBL SCHEMBL359367
ZINC ZINC000003938681
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