CAS No. 131991-61-2

Description:
Mono(6-(1,6-hexamethylenediamine)-6-deoxy)-beta-cyclodextrin is a derivative of β-cyclodextrin, which can help improve the solubility of the drug in oral preparations or preparations.

• Molecular Weight: 1233.17
• Molecular Formula: C48H84N2O34

Canonical SMILES:
C(CCCNCC1C2C(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(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)CCN

InChI:
InChI=1S/C48H84N2O34/c49-5-3-1-2-4-6-50-7-14-35-21(57)28(64)42(71-14)79-36-15(8-51)73-44(30(66)23(36)59)81-38-17(10-53)75-46(32(68)25(38)61)83-40-19(12-55)77-48(34(70)27(40)63)84-41-20(13-56)76-47(33(69)26(41)62)82-39-18(11-54)74-45(31(67)24(39)60)80-37-16(9-52)72-43(78-35)29(65)22(37)58/h14-48,50-70H,1-13,49H2/t14-,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-,43-,44-,45-,46-,47-,48-/m1/s1

InChIKey: QRGCMRZAXCTAMQ-IHHCOHTPSA-N

• Boiling Point: 1517.2±65.0 °C(Predicted)
• Appearance: White Solid

Synonyms:
Mono(6-(1,6-hexamethylenediamine)-6-deoxy)-b-cyclodextrin; Mono(6-(1,6-hexamethylenediamine)-6-deoxy)-β-cyclodextrin

More details are to be found on supplier website

Smile code:
NCCCCCCNCC1[C@@]2([H])O[C@@]3([H])O[C@@H]([C@](O[C@@]4([H])O[C@@H]([C@](O[C@@]5([H])O[C@@H]([C@](O[C@@]([C@@H]6O)([H])O[C@H](CO)[C@@]([C@@H]6O)([H])O[C@@]([C@@H]7O)([H])O[C@H](CO)[C@@]([C@@H]7O)([H])O[C@@]([C@@H]8O)([H])O[C@H](CO)[C@@]([C@@H]8O)([H])O[C@@]([C@H](O)[C@H]2O)([H])O1)([H])[C@H](O)[C@H]5O)CO)([H])[C@H](O)[C@H]4O)CO)([H])[C@H](O)[C@H]3O)CO
MDL Number:
MFCD30179374
Purity :
98%
Available in stock:
77.65 g