Products 94731-13-2

CAS 94731-13-2 appears in our catalog under these names: 4-Hydroxy Propranolol Glucuronide (Mixture of Diastereomers), 4-Hydroxy Propranolol Beta-D-Glucuronide (Mixture of Diastereomers), (±)-4-hydroxy Propranolol β-D-Glucuronide, (±)–4–hydroxy Propranolol β–D–Glucuronide, 4-Hydroxy propranolol-O-beta-D-glucuronide. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Iris Biotech. Available pack sizes: on request, 1mg, 500ug, 500μg, 2mg, 5mg, 10mg, 25mg.

4-Hydroxy Propranolol Glucuronide (Mixture of Diastereomers)
Chemat Brand
  • size: on request
  • Variants: 1
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4-Hydroxy Propranolol Beta-D-Glucuronide (Mixture of Diastereomers)
TRC
  • size: 1mg
  • Variants: 1
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(±)-4-hydroxy Propranolol β-D-Glucuronide
TargetMol, MedChemExpress
  • size: 1mg, 500ug, 1 mg
  • Variants: 3
from 2878.54
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(±)–4–hydroxy Propranolol β–D–Glucuronide
GLPBio
  • size: 1mg, 500μg
  • Variants: 2
from 1542.50
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4-Hydroxy propranolol-O-beta-D-glucuronide
Iris Biotech
  • size: 2mg, 5mg, 10mg
  • Variants: 3
from 4172.96
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4'-Hydroxypropranolol-4'-O-b-D-glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg, 25mg
  • Variants: 5
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4-Hydroxy Propranolol-d5 Glucuronide (Mixture of Diastereomers)
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid (CAS 94731-13-2) is a chemical compound with the molecular formula C22H29NO9 and a molecular weight of 451.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid. InChIKey: GCESUDQAKCEBSY-MBOKBCRSSA-N.

Identity
Molecular formulaC22H29NO9
Molecular weight451.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid
InChIKeyGCESUDQAKCEBSY-MBOKBCRSSA-N
SMILESCC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: (+/-)-4-Hydroxy propranolol beta-D-glucuronide, orb1694618, 4-Hydroxypropanolol-glucuronide (HOPG), 4-Hydroxy Propranolol beta-D-Glucuronide, ( inverted exclamation markA)-4-Hydroxy propranolol |A-D-glucuronide
Isomers (same molecular formula)
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(2R,3R)-2,3-dihydroxybutanedioic acid C22H29NO9
cyclohexanamine;(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid C22H29NO9