Products 148916-53-4

CAS 148916-53-4 is the registry number for Treprostinil Acyl-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 25mg.

Treprostinil Acyl-beta-D-Glucuronide
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(3S,6S)-6-[2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-(3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 148916-53-4) is a chemical compound with the molecular formula C29H42O11 and a molecular weight of 566.6 g/mol. IUPAC name: (3S,6S)-6-[2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-(3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: WGYOJYLHBMLVFP-KWXFKHRRSA-N.

Identity
Molecular formulaC29H42O11
Molecular weight566.6 g/mol
IUPAC name(3S,6S)-6-[2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-(3-hydroxyoctyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyWGYOJYLHBMLVFP-KWXFKHRRSA-N
SMILESCCCCCC(CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O[C@H]4C(C([C@@H](C(O4)C(=O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Treprostinil Acyl-?-D-Glucuronide, TreprostinilAcyl-beta-D-Glucuronide
Isomers (same molecular formula)
3-[(1R,3R,4R,7S,8R,11S,13S,15S,16R,17S)-7,11-dihydroxy-16-(hydroxymethyl)-3-methyl-13-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadecan-4-yl]-2H-furan-5-one C29H42O11