Products 161170-63-4

CAS 161170-63-4 is the registry number for Emodepside Impurity 2. Offered by: Chemat Brand. Available pack sizes: on request.

Emodepside Impurity 2
Chemat Brand
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Structural formula: {0} (CAS {1})

(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 (CAS 161170-63-4) is a chemical compound with the molecular formula C52H74N6O16 and a molecular weight of 1039.2 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. InChIKey: ZWELWZMYXTVRDR-XECSQYFBSA-N.

Identity
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
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

Computed by PubChem (NCBI)

Synonyms: Emodepside Impurity 2
Related forms of this compound
(3S,6R,9S,12R,15S,18R,21S,24R)-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 C52H74N6O16