4-[1-(1-Hydroxycyclohexyl)-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid

CAS Registry Number®

1021933-99-2
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CAS Name

4-[1-(1-Hydroxycyclohexyl)-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid

Molecular Formula

C21H31NO8

Molecular Mass

425.47

Cite this Page

4-[1-(1-Hydroxycyclohexyl)-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1021933-99-2 (retrieved 2024-04-29) (CAS RN: 1021933-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H31NO8/c1-22-11-14(21(28)9-3-2-4-10-21)12-5-7-13(8-6-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5-8,14-18,20,22-25,28H,2-4,9-11H2,1H3,(H,26,27)/t14?,15-,16-,17+,18-,20+/m0/s1

InChIKey

InChIKey=UDNAJOOLWIWCAW-SQBZNDFJSA-N

SMILES

C(CNC)(C1(O)CCCCC1)C2=CC=C(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)C=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2)C(CNC)C3(O)CCCCC3)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenyl
  • 4-[1-(1-Hydroxycyclohexyl)-2-(methylamino)ethyl]phenyl β-D-glucopyranosiduronic acid

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