Naltrexone EP Impurity D

cas: 607732-61-6 — see every product listed under this CAS number, including other names

Naltrexone EP Impurity D (CAS 607732-61-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-N201104
cas607732-61-6
sizeon request
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Structural formula: {0} (CAS {1})

(4R,4aS,7aR,12bS)-10-[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (CAS 607732-61-6) is a chemical compound with the molecular formula C40H44N2O8 and a molecular weight of 680.8 g/mol. IUPAC name: (4R,4aS,7aR,12bS)-10-[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one. InChIKey: NGSAYZAPVYNVHK-YAUKWVCOSA-N.

Identity
Molecular formulaC40H44N2O8
Molecular weight680.8 g/mol
IUPAC name(4R,4aS,7aR,12bS)-10-[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
InChIKeyNGSAYZAPVYNVHK-YAUKWVCOSA-N
SMILESC1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=CC(=C(C(=C46)O5)O)C7=C(C8=C9C(=C7)C[C@@H]1[C@]2([C@]9(CCN1CC1CC1)[C@@H](O8)C(=O)CC2)O)O)O

Computed by PubChem (NCBI)

Synonyms: 2,2'-Bisnaltrexone, Naltrexone EP Impurity D, 2,2'-Bisnaltrexone (Naltrexone Impurity) (1mg/ml in Acetonitrile)
Isomers (same molecular formula)
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]phenyl]methoxy]-5-oxopentanoic acid C40H44N2O8
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[4-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]phenyl]methoxy]-5-oxopentanoic acid C40H44N2O8

Also listed as

Naltrexone Hydrochloride Impurity D Chemat Brand CAS 607732-61-6
2,2'-Bisnaltrexone (Naltrexone Impurity), >95% (HPLC) TRC CAS 607732-61-6
Naltrexone impurity D Biosynth CAS 607732-61-6