Emiglitate

CAS Registry Number®

80879-63-6

CAS Name

Emiglitate

Molecular Formula

C17H25NO7

Molecular Mass

355.38

Cite this Page

Emiglitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80879-63-6 (retrieved 2024-11-22) (CAS RN: 80879-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H25NO7/c1-2-24-17(23)11-3-5-12(6-4-11)25-8-7-18-9-14(20)16(22)15(21)13(18)10-19/h3-6,13-16,19-22H,2,7-10H2,1H3/t13-,14+,15-,16-/m1/s1

InChIKey

InChIKey=NWWORXYTJRPSMC-QKPAOTATSA-N

SMILES

C(COC1=CC=C(C(OCC)=O)C=C1)N2[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C2

Canonical SMILES

O=C(OCC)C1=CC=C(OCCN2CC(O)C(O)C(O)C2CO)C=C1

Other Names for this Substance

  • Benzoic acid, 4-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy]-, ethyl ester
  • Benzoic acid, 4-[2-[3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy]-, ethyl ester, [2R-(2α,3β,4α,5β)]-
  • BAY-o 1248
  • Emiglitate