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Retapamulin

CAT: 0957-S4056-02Size: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S4056-02Size:1 g
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Description
Retapamulin (SB-275833) is a topical antibiotic, which binds to both E. coli and S. aureus ribosomes with similar potencies with Kd of 3 nM.
CAS Number
224452-66-8
Synonyms
SB-275833
Target
Antibiotics
Activity
Microbiology
Molecular Formula
C30H47NO4S
Storage Conditions
2 years -80 in solvent

Chemical Information

Retapamulin

Retapamulin is a carboxylic ester, a carbotricyclic compound and a cyclic ketone.

CAS Number224452-66-8
PubChem CID6918462
IUPAC Name[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate
Molecular FormulaC30H47NO4S
Molecular Weight517.8
XLogP6.1
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity895
SMILES
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C
InChI
InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
InChIKey
STZYTFJPGGDRJD-FJJJPKKESA-N
Chemical Structure
2D Structure
2D structure of Retapamulin
CAS: 224452-66-8
CID: 6918462
Formula: C30H47NO4S
MW: 517.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.8
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass517.32258015
Monoisotopic Mass517.32258015
Topological Polar Surface Area92.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A11139-50Retapamulin 50mg

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