Chemical identity

Ampicillin EP Impurity M

CAS 62326-82-3 · C32H38N6O8S2

01Identity

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

Lazychem IDLC-06265
PubChem CID76965579
NameAmpicillin EP Impurity M
CAS RN62326-82-3
Molecular formulaC32H38N6O8S2
Molecular weight698.8 g/mol
IUPAC name(1S,4S,7R)-7-((2R)-2-(2-((R)-2-amino-2-phenylacetamido)-2-((4S)-4-carboxy-5,5-dimethyltetrahydrothiophen-2-yl)acetamido)-2-phenylacetamido)-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid
InChIKeyAZTDOCKXPFRLQQ-BOUYBQKTSA-N

02Structure identifiers

2D structurePubChem CID 76965579
2D structure: Ampicillin EP Impurity M, CAS 62326-82-3
Structure of Ampicillin EP Impurity M (CAS 62326-82-3). LazyChem record. Source identity: PubChem CID 76965579. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC32H38N6O8S2
InChIKeyAZTDOCKXPFRLQQ-BOUYBQKTSA-N
Ring count5
Defined stereocentres8
Unassigned stereocentres0
SMILESCC1([C@@H](N[C@H](S1)[C@@H](C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O)NC(=O)[C@@H](C5=CC=CC=C5)N)C(=O)O)C
InChIInChI=1S/C32H38N6O8S2/c1-31(2)21(29(43)44)37-26(47-31)19(35-23(39)17(33)15-11-7-5-8-12-15)25(41)34-18(16-13-9-6-10-14-16)24(40)36-20-27(42)38-22(30(45)46)32(3,4)48-28(20)38/h5-14,17-22,26,28,37H,33H2,1-4H3,(H,34,41)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t17-,18-,19-,20-,21+,22+,26-,28-/m1/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

2 records

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.

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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Ampicillin EP Impurity M, CAS 62326-82-3
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 62326-82-3 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 62326-82-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Ampicillin

View API and impurity family

Other names

  • Glycinamide, (2R)-2-phenylglycyl-(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenyl-, (2R)-
  • (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Ampicillin dimer
  • (2R)-(2R)-2-Phenylglycyl-(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylglycinamide
  • (2S,5R,6R)-6-((R)-2-((R)-2-((R)-2-amino-2-phenylacetamido)-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Related records from the same parent family

07Documented 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.

08Sources