Tożsamość

Emodepside-D6

Nie podano · C60H90N6O14

01Tożsamość

Lazychem IDLC-13942
CAS RNNie podano
PubChem CID169439773
Molecular formulaC60H90N6O14
Molecular weight1125.4 g/mol
IUPAC name(3S,6R,9S,12R,15R,18R,21S,24R)-4,12,16,24-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,18-bis[(4-morpholin-4-ylphenyl)methyl]-10,22-bis(trideuteriomethyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
InChIKeyZMQMTKVVAMWKNY-DYBYLXNYSA-N

02Struktura i stereochemia

2D structurePubChem CID 169439773
Two-dimensional chemical structure of Emodepside-D6
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, has 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres8
Ring count5
Secondary amines0
Tertiary amines2
SMILES[2H]C([2H])([2H])N1[C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@@H](C(=O)O[C@@H](C1=O)C)CC(C)C)C)CC2=CC=C(C=C2)N3CCOCC3)CC(C)C)C([2H])([2H])[2H])C)CC(C)C)C)CC4=CC=C(C=C4)N5CCOCC5)CC(C)C
InChINie podano

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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.

04Status w Indiach

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

05Nazwy i powiązania

API i lek macierzysty

Emodepside

Zanieczyszczenia i związki pokrewne

Nazwy i powiązania

    Zanieczyszczenia i związki pokrewne

    06Źródła