Compound Summary
alpha-CYCLODEXTRIN
Compound Information
alpha-CYCLODEXTRIN
Compound Name: | alpha-CYCLODEXTRIN |
Compound CID: | 444913 |
Synonyms: | alpha-CYCLODEXTRIN 10016-20-3 Alfadex Cyclohexapentylose Cyclomaltohexaose More... |
Iupac Name: | (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-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 |
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-RWMJIURBSA-N |
Canonical Smiles: | C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O |
Isomeric 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](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O |
Molecular Weight: | 972.8 |
Molecular Formula: | C36H60O30 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
alpha-CYCLODEXTRIN
Molecular Weight: | 972.8 |
Molecular Formula: | C36H60O30 |
Hydrogen Bond Donor Count: | 18 |
Hydrogen Bond Acceptor Count: | 30 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 66 |
Complexity: | 1250 |
Synonyms
alpha-CYCLODEXTRIN
| alpha-CYCLODEXTRIN | alpha-CYCLODEXTRIN |
|---|---|
alpha-CYCLODEXTRIN |
10016-20-3 |
Alfadex |
Cyclohexapentylose |
Cyclomaltohexaose |
alpha-Dextrin |
Cyclomaltohexose |
alpha-Cycloamylose |
a-cyclodextrin |
Cyclohexaamylose |
alpha cyclodextrin |
UNII-Z1LH97KTRM |
.alpha.-Cyclodextrin |
NSC 269470 |
Z1LH97KTRM |
Alpha-Cyclodextrin (Cyclohexa-Amylose) |
Cyclohexaamylose carbonate |
CHEBI:40585 |
NSC-269470 |
NCGC00090767-02 |
DSSTox_CID_10698 |
DSSTox_RID_78856 |
DSSTox_GSID_30698 |
Dextrin, alpha-cyclo |
Alfadexum |
Alfadexum INN-Latin |
alpha-Schardinger dextrin |
MFCD00078207 |
ACX |
CAS-10016-20-3 |
EINECS 233-007-4 |
Alfadex INN:BAN:NF |
NSC269470 |
2zym |
3zst |
4fem |
isoquinoliniumchloride |
C36H60O30 |
Alfadex (INN/NF) |
3ck7 |
EC 233-007-4 |
SCHEMBL24981 |
alpha-Cyclodextrin, >=98% |
MLS001074882 |
CHEMBL1230813 |
DTXSID7030698 |
hexakis(hydroxymethyl)?dodecol |
HMS2232K21 |
HY-B1513 |
Tox21_111015 |
Tox21_201252 |
Tox21_300302 |
6139AH |
AKOS015900446 |
ZINC242498445 |
DB01909 |
NCGC00090767-01 |
NCGC00090767-03 |
NCGC00090767-04 |
NCGC00253988-01 |
NCGC00258804-01 |
AS-10392 |
BP-31069 |
SMR000568406 |
CS-0013302 |
alpha-Cyclodextrin, purum, >=98.0% (HPLC) |
C-9100 |
D08846 |
I11498 |
A897566 |
Q27104460 |
Alfadex, European Pharmacopoeia (EP) Reference Standard |
UNII-7E6SK9QDT8 component HFHDHCJBZVLPGP-RWMJIURBSA-N |
Alpha Cyclodextrin, United States Pharmacopeia (USP) Reference Standard |
alpha-Cyclodextrin, powder, BioReagent, suitable for cell culture, >=98% |
alpha-Cyclodextrin, produced by Wacker Chemie AG, Burghausen, Germany, >=99.0% (HPLC) |
alpha-Cyclodextrin, FG, produced by Wacker Chemie AG, Burghausen, Germany, Food, >=98% (on dry substance) |
alpha-Cyclodextrin, Produced by Wacker Chemie AG, Burghausen, Germany, Life Science, 98.0-101.0% cyclodextrin basis (HPLC) |
anti-configured tubular 2-((2-ethoxy-13,113,513-tris(2-ethoxy-2-oxoethoxy)-8-hydroxy-116H,516H-3,7-diaza-1(4,12)-8,16-methanodinaphtho2,1-d:1,2-g1,3dioxocina-5(4,12)-dinaphtho2,1-d:1,2-g1,3dioxocinacyclooctaphane-2,7-dien-53-yl)oxy)acetic acid |
WURCS=2.0/1,6,6/a2122h-1a_1-5/1-1-1-1-1-1/a1-f4_a4-b1_b4-c1_c4-d1_d4-e1_e4-f1 |
Experimental Data
alpha-CYCLODEXTRIN
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 0.500000000000000 | w/v | 10.210000000000000 | 10.640000000000000 | 0.040000000000000 | NS | N2 | 33468711 | Inactive | ||||
| Caenorhabditis elegans | 0.100000000000000 | w/v | 12.330000000000000 | 13.250000000000000 | 0.070000000000000 | S | N2 | 33468711 | Active | ||||
| Caenorhabditis elegans | 0.050000000000000 | w/v | 10.210000000000000 | 12.940000000000000 | 0.270000000000000 | S | N2 | 33468711 | Active |
Experimental Data Visualization
alpha-CYCLODEXTRIN
Statistics Data
alpha-CYCLODEXTRIN
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.270000000000000 | 1 | 3 |
Statistics Data Visualization
alpha-CYCLODEXTRIN
