3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl β-D-glucopyranosiduronic acid

CAS Registry Number®

138921-77-4

CAS Name

3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl β-D-glucopyranosiduronic acid

Molecular Formula

C21H31NO8

Molecular Mass

425.47

Cite this Page

3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]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=138921-77-4 (retrieved 2024-11-22) (CAS RN: 138921-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H31NO8/c1-22(2)11-13-6-3-4-9-21(13,28)12-7-5-8-14(10-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5,7-8,10,13,15-18,20,23-25,28H,3-4,6,9,11H2,1-2H3,(H,26,27)/t13-,15+,16+,17-,18+,20-,21+/m1/s1

InChIKey

InChIKey=DSBGQRZOJXSECT-VZFNFROLSA-N

SMILES

O[C@]1([C@@H](CN(C)C)CCCC1)C2=CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=CC(=C2)C3(O)CCCCC3CN(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl
  • β-D-Glucopyranosiduronic acid, 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl, (1R-cis)-
  • 3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl β-D-glucopyranosiduronic acid
  • (1R,2R)-O-Demethyl tramadol glucuronide

Deleted or Replaced CAS Registry Numbers

1416129-98-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration