Products 619331-76-9

CAS 619331-76-9 appears in our catalog under these names: 2-Chloro-10-hydroxynaltrexone (>85%), 2-Chloro-10alpha-hydroxynaltrexone (>85%). Offered by: TRC. Available pack sizes: 0,5mg, 2,5mg.

2-Chloro-10-hydroxynaltrexone (>85%)
TRC
  • size: 0,5mg
  • Variants: 1
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2-Chloro-10alpha-hydroxynaltrexone (>85%)
TRC
  • size: 2,5mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(4R,4aS,7aR,12bS,13S)-10-chloro-3-(cyclopropylmethyl)-4a,9,13-trihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (CAS 619331-76-9) is a chemical compound with the molecular formula C20H22ClNO5 and a molecular weight of 391.8 g/mol. IUPAC name: (4R,4aS,7aR,12bS,13S)-10-chloro-3-(cyclopropylmethyl)-4a,9,13-trihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one. InChIKey: NYBSWUHLCKCABL-YAVHWGEVSA-N.

Identity
Molecular formulaC20H22ClNO5
Molecular weight391.8 g/mol
IUPAC name(4R,4aS,7aR,12bS,13S)-10-chloro-3-(cyclopropylmethyl)-4a,9,13-trihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
InChIKeyNYBSWUHLCKCABL-YAVHWGEVSA-N
SMILESC1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2[C@H](C6=CC(=C(C(=C46)O5)O)Cl)O)O

Computed by PubChem (NCBI)

Synonyms: 2-Chloro-10alpha-hydroxynaltrexone (>85%)
Isomers (same molecular formula)
5-O-ethyl 7-O-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate C20H22ClNO5
9-O-ethyl 7-O-methyl 8-(2-chlorophenyl)-6-methyl-3,4,8,9-tetrahydropyrido[2,1-c][1,4]oxazine-7,9-dicarboxylate C20H22ClNO5
(2S,4S)-4-(4-chloronaphthalen-1-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid C20H22ClNO5
5-O-ethyl 7-O-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,8a-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate C20H22ClNO5
1-chloroethyl (4R,7S,7aR,12bS)-7-hydroxy-9-methoxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-carboxylate C20H22ClNO5