Amoxicillin Open RIng Trimer Impurity

01Identita

Lazychem ID	LC-06221
CAS RN	210289-73-9
PubChem CID	168446080
Molecular formula	C48H59N9O16S3
Molecular weight	1114.2 g/mol
IUPAC name	(2R,2'R,2''R,4S,4'S,4''S)-2,2',2''-((1R,4R,7R,10R,13R,16R)-16-amino-1-carboxylato-4,10,16-tris(4-hydroxyphenyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazahexadecane-1,7,13-triyl)tris(5,5-dimethylthiazolidine-4-carboxylate)
InChIKey	VTHAZZTUEUMFJQ-YKIQZXFZSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Amoxicillin Open RIng Trimer Impurity, CAS 210289-73-9 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 12 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	12
Ring count	6
Secondary amines	3
Tertiary amines	0

SMILES	CC1([C@@H](N[C@H](S1)[C@@H](C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)N[C@H](C4=CC=C(C=C4)O)C(=O)N[C@@H]([C@@H]5N[C@H](C(S5)(C)C)C(=O)O)C(=O)O)NC(=O)[C@@H](C6=CC=C(C=C6)O)N)C(=O)O)C
InChI	Neuvedeno

03Stereochemistry

The published structure contains 12 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres12Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4,096Before 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.

CAS 210289-73-9

VTHAZZTUEUMFJQ-YKIQZXFZSA-N

Current configuration

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.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Amoxicillin

Nečistoty a související sloučeniny

Názvy a vztahy

Amoxycilloic Acid Trimer
210289-73-9
(2R,2'R,2''R,4S,4'S,4''S)-2,2',2''-((1R,4R,7R,10R,13R,16R)-16-Amino-1-carboxy-4,10,16-tris(4-hydroxyphenyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazahexadecane-1,7,13-triyl)tris(5,5-dimethylthiazolidine-4-carboxylic acid)
(2R)-(2R)-2-(4-Hydroxyphenyl)glycyl-(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-(2R)-2-(4-hydroxyphenyl)glycyl-(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-(2R)-2-(4-hydroxyphenyl)glycyl-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycine

06Zdroje

S01
PubChem CID 168446080
Structure and machine-readable chemical identifiers.