10-Oxo Naltrexone Methyl Ether

cas: 96445-13-5 — see every product listed under this CAS number, including other names

10-Oxo Naltrexone Methyl Ether (CAS 96445-13-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-O858210-10MG
cas96445-13-5
size10mg
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Structural formula: {0} (CAS {1})

(4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione (CAS 96445-13-5) is a chemical compound with the molecular formula C21H23NO5 and a molecular weight of 369.4 g/mol. IUPAC name: (4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione. InChIKey: MPULCDMBFAYJIX-IVAOSVALSA-N.

Identity
Molecular formulaC21H23NO5
Molecular weight369.4 g/mol
IUPAC name(4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione
InChIKeyMPULCDMBFAYJIX-IVAOSVALSA-N
SMILESCOC1=C2C3=C(C=C1)C(=O)[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O

Computed by PubChem (NCBI)

Synonyms: 10-Oxo-3-O-methylnaltrexone, 10-Oxo Naltrexone Methyl Ether, Naltrexone Impurity 12, 17-(Cyclopropylmethyl)-14-hydroxy-3-methoxy-5alpha-4,5-epoxymorphinan-6,10-dione
Isomers (same molecular formula)
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-4-methylpentanoic acid C21H23NO5
(2R)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid C21H23NO5
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-hydroxyhexanoic acid C21H23NO5
(4bR,5S,11bS)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol C21H23NO5
7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one C21H23NO5
2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid C21H23NO5
(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-4-methylpentanoic acid C21H23NO5
2-(3-methoxy-4-methylphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid C21H23NO5
4-[(2S,4S)-4-methoxy-1-phenylmethoxycarbonylpiperidin-2-yl]benzoic acid C21H23NO5
6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaen-3-one C21H23NO5
2-(2-hydroxy-3-methylphenyl)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid C21H23NO5

Also listed as

Naltrexone Impurity 12 Chemat Brand CAS 96445-13-5