Cas no 52443-21-7 (Glucametacin)

Glucametacin structure
Glucametacin structure
Product Name:Glucametacin
CAS No:52443-21-7
MF:C25H27ClN2O8
MW:518.943486452103
CID:56235
PubChem ID:3033980
Update Time:2025-04-18

Glucametacin Chemical and Physical Properties

Names and Identifiers

    • Glucametacin
    • 2-[[2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]amino]-2-deoxy-D-glucose
    • 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
    • EINECS 257-923-9
    • Glucametacin [INN]
    • Glucametacina [INN-Spanish]
    • Glucametacine
    • Glucametacine [INN-French]
    • Glucametacinum [INN-Latin]
    • Glucometacin
    • Teoremac
    • UNII-N1EXE5EHAN
    • 2-(1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)-N-((2R,3R,4S,5R)-3,4,5,6-TETRAHYDROXY-1-OXOHEXAN-2-YL)ACETAMIDE
    • 1-(p-Chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid monohydrate glucosamide
    • NS00032508
    • GLUCAMETACIN [WHO-DD]
    • N1EXE5EHAN
    • Glucametan
    • D-Glucose, 2-(((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)amino)-2-deoxy-
    • Glucametacina
    • DTXSID80200445
    • Glucametacinum
    • SCHEMBL24511
    • 2-(1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL)-N-((3R,4R,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3-YL)ACETAMIDE
    • D-Glucose, 2-(((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)amino)-2-deoxy-, hydrate
    • 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure-monohydrat-glucosamid [German]
    • CS-0040318
    • 2-(2-(1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl)acetamido)-2-deoxy-D-glucose
    • glucamethacin
    • HY-111392
    • 52443-21-7
    • GLUCAMETACIN [MI]
    • GLUCAMETACIN [MART.]
    • CHEMBL488914
    • 1-(p-Chlorbenzoyl)-5-methoxy-2-methylindol-3-essigsaeure-monohydrat-glucosamid
    • Inchi： 1S/C25H27ClN2O8/c1-13-17(10-22(32)27-19(11-29)23(33)24(34)21(31)12-30)18-9-16(36-2)7-8-20(18)28(13)25(35)14-3-5-15(26)6-4-14/h3-9,11,19,21,23-24,30-31,33-34H,10,12H2,1-2H3,(H,27,32)/t19-,21+,23+,24+/m0/s1
    • InChI Key： XLVXAUNDHWERBM-IVGWJTKZSA-N
    • SMILES： ClC1C=CC(=CC=1)C(N1C2C=CC(=CC=2C(CC(N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)=O)=C1C)OC)=O

Computed Properties

  • Exact Mass: 536.15600
  • Monoisotopic Mass: 518.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 10
  • Complexity: 764
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: nothing
  • Topological Polar Surface Area: 158A^2

Experimental Properties

  • Density: 1.44
  • Boiling Point: 793.7°Cat760mmHg
  • Flash Point: 433.8°C
  • Refractive Index: 1.634
  • PSA: 159.71000
  • LogP: 1.08540

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