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Substance Name: Betadex [USAN:INN:BAN:NF]
RN: 7585-39-9
UNII: JV039JZZ3A
InChIKey: WHGYBXFWUBPSRW-FOUAGVGXSA-N

Classification Codes

  • Carcinogens
  • Food Additives
  • Noxae
  • Pharmaceutic Aid (Sequestering Agent)
  • Reproductive Effect
  • Sequestering Agents

Molecular Formula

  • C42-H70-O35

Molecular Weight

  • 1134.98
 
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Names and Synonyms

Name of Substance

  • Betadex
  • Betadex [USAN:INN:BAN:NF]

Synonyms

  • AI3-29233
  • beta-Cycloamylose
  • beta-Cyclodextrin
  • beta-Cycloheptaamylose
  • beta-Dextrin
  • Betadex
  • CCRIS 651
  • Cycloheptaamylose
  • Cycloheptaglucan
  • Cycloheptaglucosan
  • Cyclomaltoheptaose
  • Dextrin, beta-cyclo
  • EC 231-493-2
  • EINECS 231-493-2
  • Kleptose
  • Kleptose B
  • NSC 314334
  • Rhodocap N
  • Ringdex B
  • Ringdex BL
  • Schardinger beta-dextrin
  • UNII-JV039JZZ3A

Systematic Names

  • beta-Cyclodextrin
  • Cycloheptapentylose

Registry Numbers

CAS Registry Number

  • 7585-39-9

FDA UNII

  • JV039JZZ3A

Other Registry Numbers

  • 1187028-35-8
  • 1269982-56-0
  • 37331-89-8
  • 449728-55-6
  • 47918-72-9

System Generated Number

  • 0007585399

Structure Descriptors

InChI

1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/m1/s1

InChIKey

WHGYBXFWUBPSRW-FOUAGVGXSA-N

Smiles

OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 330mg/kg (330mg/kg)   "Proceedings of the International Symposium on Cyclodextrins, 1st, 1981," Szejtli, J., ed., Hingham, MA, Kluwer Academic Pub., 1982Vol. 1, Pg. 109, 1982.
mouse LD50 oral > 12500mg/kg (12500mg/kg)   Pesticide Science. Vol. 11, Pg. 134, 1980.
mouse LD50 subcutaneous 412mg/kg (412mg/kg)   "Proceedings of the International Symposium on Cyclodextrins, 1st, 1981," Szejtli, J., ed., Hingham, MA, Kluwer Academic Pub., 1982Vol. 1, Pg. 109, 1982.
rat LD50 intraperitoneal 356mg/kg (356mg/kg)   "Proceedings of the International Symposium on Cyclodextrins, 1st, 1981," Szejtli, J., ed., Hingham, MA, Kluwer Academic Pub., 1982Vol. 1, Pg. 109, 1982.
rat LD50 intravenous 1008mg/kg (1008mg/kg)   American Journal of Pathology. Vol. 83, Pg. 367, 1976.
rat LD50 oral 18800mg/kg (18800mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 287, 1983.
rat LD50 subcutaneous 3700mg/kg (3700mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 287, 1983.