Treprostinil Impurity 3

cas: 101692-02-8 — see every product listed under this CAS number, including other names

Treprostinil Impurity 3 (CAS 101692-02-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberULT8311
cas101692-02-8
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Structural formula: {0} (CAS {1})

(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalene-2,5-diol (CAS 101692-02-8) is a chemical compound with the molecular formula C21H32O3 and a molecular weight of 332.5 g/mol. IUPAC name: (1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalene-2,5-diol. InChIKey: UTGPMEMKMRVGNE-HUTLKBDOSA-N.

Identity
Molecular formulaC21H32O3
Molecular weight332.5 g/mol
IUPAC name(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalene-2,5-diol
InChIKeyUTGPMEMKMRVGNE-HUTLKBDOSA-N
SMILESCCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)O)O)O

Computed by PubChem (NCBI)

Synonyms: Descarboxymethyl treprostinil, Treprostinil Impurity 1, 5-diol, Treprostinil Intermediates, 9aS)-2, 9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2, (1R2R3aS9aS)-233a499a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-25-diol
Isomers (same molecular formula)
methyl (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C21H32O3
(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate C21H32O3
(4-pentoxyphenyl) 4-propylcyclohexane-1-carboxylate C21H32O3
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate C21H32O3
methyl 4-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]butanoate C21H32O3
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O3
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O3
[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H32O3
(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C21H32O3
1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H32O3
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O3
(5S,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O3

Also listed as

Treprostinil Impurity 4 Chemat Brand CAS 101692-02-8
Descarboxymethyl Treprostinil TRC CAS 101692-02-8
(1R,2R,3aS,9aS)-1-((S)-3-Hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene-2,5-diol 97% Ambeed CAS 101692-02-8
(1R，2R，3aS，9aS)-2，3，3a，4，9，9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2，5-diol, 97%, 97% Chemat CAS 101692-02-8