Chemical identity

Ampicillin EP Impurity J

CAS 6489-58-3 · C13H20N2O4S

01Identity

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

Lazychem IDLC-06263
PubChem CID209820
NameAmpicillin EP Impurity J
CAS RN6489-58-3
Molecular formulaC13H20N2O4S
Molecular weight300.4 g/mol
IUPAC name(2S,5R,6R)-6-[(2,2-dimethylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKeyPORWSLUULGTXGS-BKPPORCPSA-N

02Structure identifiers

2D structurePubChem CID 209820
2D structure: Ampicillin EP Impurity J, CAS 6489-58-3
Structure of Ampicillin EP Impurity J (CAS 6489-58-3). LazyChem record. Source identity: PubChem CID 209820. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H20N2O4S
InChIKeyPORWSLUULGTXGS-BKPPORCPSA-N
Ring count2
Defined stereocentres3
Unassigned stereocentres0
SMILESCC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C)(C)C)C(=O)O)C
InChIInChI=1S/C13H20N2O4S/c1-12(2,3)11(19)14-6-8(16)15-7(10(17)18)13(4,5)20-9(6)15/h6-7,9H,1-5H3,(H,14,19)(H,17,18)/t6-,7+,9-/m1/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 6489-58-3 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 6489-58-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ampicillin

View API and impurity family

Other names

  • (2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • UNII-6MM8IJ3O7L
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-pivalamido-
  • Ampicillin trihydrate impurity J [EP]
  • Ampicillin, anhydrous impurity J [EP]
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((2,2-dimethyl-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((2,2-dimethyl-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
  • AMPICILLIN TRIHYDRATE IMPURITY J [EP IMPURITY]
  • AMPICILLIN, ANHYDROUS IMPURITY J [EP IMPURITY]

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