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Mupirocin Calcium Salt

CAT: 0572-TRC-M794005-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M794005-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115074-43-6
Synonyms
Mupirocin calcium; Calcium bis[9-[[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1methylpropyl]oxiranyl]methyl]tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl]oxy]nonanoate] dihydrate; BRL-4910F
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
O.O.[Ca+2].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]2CO[C@@H](C\C(=C\C(=O)OCCCCCCCCC(=O)[O-])\C)[C@H](O)[C@@H]2O.C[C@H](O)[C@H](C)[C@@H]3O[C@H]3C[C@H]4CO[C@@H](C\C(=C\C(=O)OCCCCCCCCC(=O)[O-])\C)[C@H](O)[C@@H]4O
Molecular Formula
2 C26 H43 O9 . Ca . 2 H2 O
Molecular Weight
1075.34
InChI
InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1
Additionnal Information
IUPAC name: calcium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate;dihydrate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mupirocin Calcium

Mupirocin calcium hydrate is a hydrate that is the dihydrate form of mupirocin calcium. It is an antibacterial drug used for the treatment of skin infections such as impetigo caused by Staphylococcus aureus and meticillin-resistant Staphylococcus aureus (MRSA). It has a role as an antiinfective agent, an antibacterial drug and a protein synthesis inhibitor. It contains a mupirocin calcium (anhydrous).

CAS Number115074-43-6
PubChem CID5282317
IUPAC Namecalcium;bis(9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate);dihydrate
Molecular FormulaC52H90CaO20
Molecular Weight1075.3
Topological Polar Surface Area300
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count32
Heavy Atom Count73
Formal Charge0
Complexity689
SMILES
C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.O.O.[Ca+2]
InChI
InChI=1S/2C26H44O9.Ca.2H2O/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;;;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);;2*1H2/q;;+2;;/p-2/b2*16-13+;;;/t2*17-,18-,19-,20-,21-,24+,25-,26-;;;/m00.../s1
InChIKey
DDHVILIIHBIMQU-YJGQQKNPSA-L
Chemical Structure
2D Structure
2D structure of Mupirocin Calcium
CAS: 115074-43-6
CID: 5282317
Formula: C52H90CaO20
MW: 1075.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1075.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count32
Exact Mass1074.5651361
Monoisotopic Mass1074.5651361
Topological Polar Surface Area300 Ų
Heavy Atom Count73
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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