RIFAMYCIN SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 32086GS35Z
EPA CompTox DTXSID0040208

Structure

InChI Key YVOFSHPIJOYKSH-NLYBMVFSSA-M
Smiles CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]
InChI
InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/q;+1/p-1/b11-10+,14-13+,17-12-;/t16-,18+,19+,20+,25-,29-,30+,33+,37-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H46NNaO12
Molecular Weight 719.76
AlogP 4.75
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 201.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 50.0

Pharmacology

Mechanism of Action Action Reference
DNA-directed RNA polymerase inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -6.18--3.13
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - -
Equus caballus
- - - -

Cross References

Resources Reference
ChEMBL CHEMBL2105680
FDA SRS 32086GS35Z
PubChem 23702994
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