Identita

Rifaximin Impurity B

Neuvedeno · C39H49NO14

01Identita

Lazychem ID	LC-53684
CAS RN	Neuvedeno
PubChem CID	26340
Molecular formula	C39H49NO14
Molecular weight	755.8 g/mol
IUPAC name	2-[(13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl)oxy]acetic acid
InChIKey	SQTCRTQCPJICLD-UHFFFAOYSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Rifaximin Impurity B — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)O)C
InChI	Neuvedeno

03Stereochemistry

The published structure contains 0 defined and 9 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres9Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

3 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.