API and parent drug

Amoxicillin Sodium

CAS 34642-77-8 · C16H18N3NaO5S · 1 related records

01API identity and structure

2D structurePubChem CID 23663126
2D structure: Amoxicillin Sodium, CAS 34642-77-8
Structure of Amoxicillin Sodium (CAS 34642-77-8). LazyChem record. Source identity: PubChem CID 23663126. Confirm the identifiers before analytical use.Download structure image
API / medicine nameAmoxicillin Sodium
CAS RN34642-77-8
PubChem CID23663126
Molecular formulaC16H18N3NaO5S
Molecular weight387.4 g/mol
IUPAC namesodium (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Defined stereocentres4
Unassigned stereocentres0
SMILESCC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]
InChINot listed
InChIKeyBYHDFCISJXIVBV-YWUHCJSESA-M

02Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres42D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 34642-77-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources