DALFOPRISTIN

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Synonyms
Status
Molecule Category Free-form
UNII R9M4FJE48E
EPA CompTox DTXSID10869549

Structure

InChI Key SUYRLXYYZQTJHF-VMBLUXKRSA-N
Smiles CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12
InChI
InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H50N4O9S
Molecular Weight 690.86
AlogP 2.27
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 176.42
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 48.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed DailyMed

Cross References

Resources Reference
ChEBI 4309
ChEMBL CHEMBL1200937
DrugBank DB01764
FDA SRS R9M4FJE48E
Guide to Pharmacology 10797
PDB DOL
PubChem 6323289
SureChEMBL SCHEMBL40993
ZINC ZINC000003917540
CONTENTS