Chemical identity

Mupirocin EP Impurity E (Sodium Salt)

CAS 116182-44-6 · C26H43NaO9

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-20732
PubChem CID23662788
NameMupirocin EP Impurity E (Sodium Salt)
CAS RN116182-44-6
Molecular formulaC26H43NaO9
Molecular weight522.60 g/mol
IUPAC name9-[[(2E)-4-[(2R,3RS,4aS,7S,8S,8aR)-3,8-Dihydroxy-2-[(1S, 2S)-2-hydroxy-1-methylpropyl]hexahydro-2H,5H-pyrano[4, 3-b]pyran-7-yl]-3-methylbut-2-enoyl]oxy]nonanoic acid sodium salt
InChIKeyXZMQVUOWANJXDT-WENNQWSDSA-M

02Structure identifiers

2D structurePubChem CID 23662788
2D structure: Mupirocin EP Impurity E (Sodium Salt), CAS 116182-44-6
Structure of Mupirocin EP Impurity E (Sodium Salt) (CAS 116182-44-6). LazyChem record. Source identity: PubChem CID 23662788. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC26H43NaO9
InChIKeyXZMQVUOWANJXDT-WENNQWSDSA-M
Ring count2
Defined stereocentres8
Unassigned stereocentres0
SMILESC[C@H]([C@@H]1[C@H](C[C@H]2CO[C@H]([C@@H]([C@@H]2O1)O)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)[C@H](C)O.[Na+]
InChIInChI=1S/C26H44O9.Na/c1-16(13-23(31)33-11-9-7-5-4-6-8-10-22(29)30)12-21-24(32)26-19(15-34-21)14-20(28)25(35-26)17(2)18(3)27;/h13,17-21,24-28,32H,4-12,14-15H2,1-3H3,(H,29,30);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21-,24-,25+,26+;/m0./s1

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 116182-44-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 116182-44-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Mupirocin

View API and impurity family

Other names

  • 2H, 5H-Pyrano[4, 3-b]pyranyl Mupirocin Sodium Impurity
  • Sodium
  • 9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate
  • Mupirocin EP Impurity E Sodium Salt
  • Nonanoic acid, 9-[[4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2alpha(1S*,2S*),3beta,4aalpha,7beta(E),8alpha,8abeta]]-
  • Sodium 9-{[(2E)-4-{(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl}-3-methylbut-2-enoyl]oxy}nonanoate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources