Chemical identity

Nafcillin Penilloic Acid / Penilloic Acids of Nafcillin

CAS 940306-33-2 · C20H24N2O4S

01Identity

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

Lazychem IDLC-23012
PubChem CID139600747
NameNafcillin Penilloic Acid / Penilloic Acids of Nafcillin
CAS RN940306-33-2
Molecular formulaC20H24N2O4S
Molecular weight388.48 g/mol
IUPAC name(2-[(2-Ethoxy-1-naphthamido)methyl]-5,5-dimethylthiazolidine-4-carboxylic acid)
InChIKeyWHHZZRUECRWKAX-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 139600747
2D structure: Nafcillin Penilloic Acid / Penilloic Acids of Nafcillin, CAS 940306-33-2
Structure of Nafcillin Penilloic Acid / Penilloic Acids of Nafcillin (CAS 940306-33-2). LazyChem record. Source identity: PubChem CID 139600747. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H24N2O4S
InChIKeyWHHZZRUECRWKAX-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres2
SMILESO=C(C1NC(CNC(C2=C3C=CC=CC3=CC=C2OCC)=O)SC1(C)C)O
InChIInChI=1S/C20H24N2O4S/c1-4-26-14-10-9-12-7-5-6-8-13(12)16(14)18(23)21-11-15-22-17(19(24)25)20(2,3)27-15/h5-10,15,17,22H,4,11H2,1-3H3,(H,21,23)(H,24,25)

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres22D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

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 Nafcillin Penilloic Acid / Penilloic Acids of Nafcillin, CAS 940306-33-2
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 940306-33-2 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 940306-33-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Nafcillin

View API and impurity family

Other names

  • Nafcillin Penilloic Acid
  • Penilloic Acids of Nafcillin

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