Products 155030-65-2

CAS 155030-65-2 is the registry number for Emodepside Impurity 1. Offered by: Chemat Brand. Available pack sizes: on request.

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

(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 (CAS 155030-65-2) is a chemical compound with the molecular formula C52H74N6O16 and a molecular weight of 1039.2 g/mol. IUPAC name: (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. InChIKey: ZWELWZMYXTVRDR-SXHRJUGISA-N.

Identity
Molecular formulaC52H74N6O16
Molecular weight1039.2 g/mol
IUPAC name(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
InChIKeyZWELWZMYXTVRDR-SXHRJUGISA-N
SMILESC[C@@H]1C(=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](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)

Related forms of this compound
(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 C52H74N6O16