This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Betadex

PubChem CID: 444041

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms beta-CYCLODEXTRIN, 7585-39-9, Betadex, Cycloheptaamylose, Cyclomaltoheptaose, Cycloheptaglucan, b-Cyclodextrin, Kleptose, Cycloheptaglucosan, beta-Cycloamylose, beta-CD, Cyclodextrin B, Kleptose B, Rhodocap N, Ringdex B, Ringdex BL, Cycloheptapentylose, .beta.-Cyclodextrin, Betacd, beta-Dextrin, Oristar bcd, Ringdex-b, Beta cyclodextrin, beta-Cyclodextrins, Cyclodextrin, beta-, Dextrin, beta-cyclo, beta-Cycloheptaamylose, Beta-schardinger dextrin, CAVAMAX W7, beta-cyclodextrine, UNII-JV039JZZ3A, JV039JZZ3A, CCRIS 651, Maltodecaose DP10, INS NO.459, DTXSID1020358, Schardinger beta-dextrin, INS-459, CHEBI:495055, EINECS 231-493-2, NSC 314334, NSC-269471, NSC-314334, E459, DTXCID70358, AI3-29233, E-459, EC 231-493-2, 37331-89-8, NCGC00090771-01, BETADEX (II), BETADEX [II], BETADEX (MART.), BETADEX [MART.], BETADEX (EP MONOGRAPH), BETADEX [EP MONOGRAPH], D047392000, beta -cyclodextrin, Caraway, BETA CYCLODEXTRIN (USP-RS), BETA CYCLODEXTRIN [USP-RS], cyclo-epta-amylose, ALFADEX IMPURITY A (EP IMPURITY), ALFADEX IMPURITY A [EP IMPURITY], 79647-56-6, CAS-7585-39-9, MFCD00078139, betadexum, betacyclodextrin, ss-Cyclodextrin, Betadex [USAN:INN:BAN:NF], 1dmb, 2zyn, beta-cyclo-dextrin, Betadex, Cycloheptakis-(1?4)-(a-d-glucopyranosyl) (cyclomaltoheptaose), Cycloheptakis-(1?4)-(a-d-glucopyranosyl) ss-cyclodextrin, Betadex (NF/INN), Schardinger A-Dextrin, 2y4s, 3ck8, 3m3r, BETADEX [INN], BETADEX [WHO-DD], BDBM11, beta-Cyclodextrin, >=97%, SCHEMBL24215, CHEMBL415690, BETA-CYCLODEXTRIN [FCC], .BETA.-CYCLODEXTRIN [MI], .BETA.-CYCLODEXTRIN [FHFI], heptakis(hydroxymethyl)[?]tetradecol, Tox21_111017, Tox21_201006, AKOS015900444, Tox21_111017_1, DB03995, OC06646, NCGC00090771-02, NCGC00090771-03, NCGC00090771-04, NCGC00258559-01, HY-107201, CS-0027620, D02401, EN300-381041, CYCLOHEPTAKIS-(1->4)-(alpha-D-GLUCOPYRANOSYL), Q27077120, Betadex, European Pharmacopoeia (EP) Reference Standard, SULFOBUTYLBETADEX SODIUM IMPURITY A [EP IMPURITY], Z1954805533, CYCLOHEPTAKIS-(1->4)-(.ALPHA.-D-GLUCOPYRANOSYL), beta-Cyclodextrin, produced by Wacker Chemie AG, Burghausen, Germany, Beta Cyclodextrin, United States Pharmacopeia (USP) Reference Standard, beta-Cyclodextrin, powder, BioReagent, suitable for cell culture, >=97%, Beta-Cyclodextrin, Pharmaceutical Secondary Standard, Certified Reference Material, beta-Cyclodextrin, produced by Wacker Chemie AG, Burghausen, Germany, >=95.0% (HPLC), 231-493-2, beta-Cyclodextrin, Produced by Wacker Chemie AG, Burghausen, Germany, Life Science, >=98.0% (HPLC)
Topological Polar Surface Area 554.0
Hydrogen Bond Donor Count 21.0
Heavy Atom Count 77.0
Isotope Atom Count 0.0
Molecular Complexity 1480.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 35.0
Uniprot Id n.a., P16473, P00352, Q9F4F7, Q96RI1, P0DTD1
Iupac Name (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Prediction Hob 0.0
Target Id NPT210, NPT94
Xlogp -15.0
Molecular Formula C42H70O35
Prediction Swissadme 0.0
Inchi Key WHGYBXFWUBPSRW-FOUAGVGXSA-N
Fcsp3 1.0
Logs -1.547
Rotatable Bond Count 7.0
Logd -6.735
Compound Name Betadex
Prediction Hob Swissadme 0.0
Exact Mass 1134.37
Formal Charge 0.0
Monoisotopic Mass 1134.37
Hydrogen Bond Acceptor Count 35.0
Molecular Weight 1135.0
Covalent Unit Count 1.0
Total Atom Stereocenter Count 35.0
Total Bond Stereocenter Count 0.0
Esol 3.047680599999993
Inchi 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
Smiles C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O
Nring 21.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home