Identità

Emodepside Impurity 2

CAS 161170-63-4 · C52H74N6O16

01Identità

Lazychem IDLC-13937
CAS RN161170-63-4
PubChem CID177829820
Molecular formulaC52H74N6O16
Molecular weight1039.2 g/mol
IUPAC name(3S,9S,15S,21S)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-nitrophenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
InChIKeyZWELWZMYXTVRDR-XECSQYFBSA-N

02Struttura e stereochimica

2D structurePubChem CID 177829820
Two-dimensional chemical structure of Emodepside Impurity 2, CAS 161170-63-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC1C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(=O)OC(C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C)C)CC(C)C)C)CC3=CC=C(C=C3)[N+](=O)[O-])CC(C)C)C
InChINon indicato

03Stereochemistry

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

Defined centres4Structure assigned
Unassigned centres4Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before 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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Emodepside

Impurezze e composti correlati

Nomi e relazioni

    Impurezze e composti correlati

    06Fonti