Cas no 22135-79-1 (b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl)

b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl structure
22135-79-1 structure
Product Name:b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl
CAS No:22135-79-1
MF:C25H29NO10
MW:503.498468160629
CID:250482
PubChem ID:71311610
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl
    • Naloxone 3-β-D-Glucuronide
    • Naloxone 3-b-D-Glucuronide
    • UNII-86O922U8J0
    • 86O922U8J0
    • Naloxone 3-?-D-Glucuronide
    • beta-D-Glucopyranosiduronic acid, (5alpha)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl
    • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (5.ALPHA.)-4,5-EPOXY-14-HYDROXY-6-OXO-17-(2-PROPENYL)MORPHINAN-3-YL
    • W-201919
    • MFCD00878774
    • Naloxone-3-Beta-D-glucuronide
    • Naloxone 3-b-D-Glucuronide (1.0mg/ml in DMSO)
    • (2S, 3S, 4S, 5R, 6S)-6-[[(4R, 4aS, 7aR, 12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2, 4, 5, 6, 7a, 13-hexahydro-1H-4, 12-methanobenzofuro[3, 2-e]isoquinolin-9-yl]oxy]-3, 4, 5-trihydroxyoxane-2-carboxylic acid
    • Naloxone 3-O-beta-D glucuronide
    • Naloxone-3-Beta-D-glucuronide, 1mg/ml in Methanol/Water : 1/1
    • Q27269752
    • (2S,3S,4S,5R,6S)-6-[[(4R,4aS,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
    • 22135-79-1
    • Naloxone-3-glucuronide
    • Naloxone 3-ss-D-Glucuronide
    • MDL： MFCD00878774
    • Inchi： 1S/C25H29NO10/c1-2-8-26-9-7-24-15-11-3-4-13(34-23-18(30)16(28)17(29)20(36-23)22(31)32)19(15)35-21(24)12(27)5-6-25(24,33)14(26)10-11/h2-4,14,16-18,20-21,23,28-30,33H,1,5-10H2,(H,31,32)/t14-,16+,17+,18-,20+,21+,23-,24+,25-/m1/s1
    • InChI Key： DSRNCSJRHACUJL-JXOQMJNJSA-N
    • SMILES： O1C2=C(C=CC3C[C@@H]4[C@@]5(CCC([C@H]1[C@@]5(C=32)CCN4CC=C)=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O

Computed Properties

  • Exact Mass: 503.17900
  • Monoisotopic Mass: 503.17914612g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 5
  • Complexity: 946
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.7
  • Topological Polar Surface Area: 166?2

Experimental Properties

  • Melting Point: 214-216°C
  • PSA: 166.22000
  • LogP: -1.19530

b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl Security Information

  • Storage Condition：2-8°C

b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl Related Literature

22135-79-1 (b-D-Glucopyranosiduronic acid, (5a)-4,5-epoxy-14-hydroxy-6-oxo-17-(2-propenyl)morphinan-3-yl) Related Products

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