CAS 104486-81-9 Bactroban (HCID 6435927)

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Basic information

CAS: 104486-81-9
Standard SMILES: C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.[Ca+2]
InChIKey: HAXVBVDETFUQGV-LNQHITRNSA-L
Molecular formula: C52H86CaO18
Average molar mass: 1,039.3 g/mol
Monoisotopic mass: 1,038.54400689

Overview

Mupirocin calcium (anhydrous) is the anhydrous form of the calcium salt of mupirocin. The dihydrate form is used as an antibacterial drug for the treatment of skin infections. It has a role as an antibacterial drug and a protein synthesis inhibitor. It contains a mupirocin(1-).

Names & identifiers

Preferred name: Bactroban
IUPAC: calcium 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)
English name: L-talo-Non-2-enonicacid,5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]-2-oxiranyl]methyl]-3-methyl-,8-carboxyoctyl ester, calcium salt (2:1), (2E)-
Molecular formula: C26H46CaO9
Molecular weight: 542.72

Names & synonyms

104486-81-9Calcium mupirocinMupirocin calcium anhydrousBactroban NasalBactrobanmupirocin calcium salt870F25Y7EKCalcium pseudomonateUNII-870F25Y7EKmupirocincalciumsaltmupirocin calcium (anhydrous)SCHEMBL412910

Show more names

L-talo-Non-2-enonicacid,5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]-2-oxiranyl]methyl]-3-methyl-,8-carboxyoctyl ester, calcium salt (2:1), (2E)-

C52H86CaO18CHEMBL2068726CHEBI:145818HAXVBVDETFUQGV-LNQHITRNSA-LMUPIROCIN CALCIUM [WHO-DD]AM138525DA-65705L-talo-Non-2-enoic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-3-methyl-, 8-carboxyoctyl ester, calcium salt (2:1), (2E,8(2S,3S(1S,2S)))-

Database identifiers

CAS: 104486-81-9
PubChem CID: 6435927
DTXSID: DTXSID90883142

Properties

Computed structural properties

Topological polar surface area: 298 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 18
Rotatable bonds: 32
Heavy atoms: 71
Formal charge: 0
Complexity: 689

Physicochemical properties

FDA UNII: 870 F25Y7EK · 870F25Y7EK
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

UsesAntibacterial (topical).

Suppliers6 total

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

Chongqing jooe co., ltd+86-15223382610 · [email protected]

青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]

南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]

Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Mupirocin calcium (anhydrous) is the anhydrous form of the calcium salt of mupirocin. The dihydrate form is used as an antibacterial drug for the treatment of skin infections. It has a role as an antibacterial drug and a protein synthesis inhibitor. It contains a mupirocin(1-).