Chemical Compound

Alfadexum

CAS Registry Number10016-20-3
Alfadexum chemical structure
Primary record

Alfadexum

CAS
10016-20-3
PubChem CID
24796
SMILES
C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@H](O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O
Molecular Formula
C36H60O30
Molecular Weight
972.846
Exact Mass
972.3169
InChI
InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m1/s1
InChIKey
HFHDHCJBZVLPGP-JSPYPFAESA-N
LogP
-13.0548
TPSA
474.9

Names and synonyms

  • Alfadexum
  • Alfadex
  • Cyclohexaamylose
  • Cyclomaltohexose
  • alpha-Dextrin
  • Cyclomaltohexaose
  • Cyclohexapentylose
  • alpha-CYCLODEXTRIN
  • alpha-Cycloamylose
  • alpha.-Cyclodextrin
  • Alfadex [INN]
  • .alpha.-Cyclodextrin
  • Dextrin, alpha-cyclo
  • Alfadexum [INN-Latin]
  • alpha-Schardinger dextrin
  • AC1L2NOI
  • Cyclohexaamylose carbonate
  • UNII-Z1LH97KTRM
  • Alfadex [INN:BAN:NF]
  • CHEMBL2373320
  • SCHEMBL12459493
  • CID24796
  • EINECS 233-007-4
  • C36H60O30
  • MFCD00078207
  • NSC 269470
  • C36-H60-O30
  • EC 233-007-4
  • 10016-20-3
  • (1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol