1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-glucopyranuronic acid

CAS Registry Number®

27313-54-8

CAS Name

1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-glucopyranuronic acid

Molecular Formula

C20H30ClN3O8

Molecular Mass

475.92

Cite this Page

1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-glucopyranuronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27313-54-8 (retrieved 2024-11-22) (CAS RN: 27313-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H30ClN3O8/c1-4-24(5-2)7-6-22-18(28)10-8-11(21)12(9-13(10)31-3)23-19-16(27)14(25)15(26)17(32-19)20(29)30/h8-9,14-17,19,23,25-27H,4-7H2,1-3H3,(H,22,28)(H,29,30)/t14-,15-,16+,17-,19+/m0/s1

InChIKey

InChIKey=SOHPSIDRULBFFB-YUAHOQAQSA-N

SMILES

N([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(OC)=C(C(NCCN(CC)CC)=O)C=C2Cl

Canonical SMILES

O=C(O)C1OC(NC2=CC(OC)=C(C=C2Cl)C(=O)NCCN(CC)CC)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[[2-chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-
  • Glucopyranuronic acid, 1-[6-chloro-4-[[2-(diethylamino)ethyl]carbamoyl]-m-anisidino]-1-deoxy-, β-D-
  • 1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-glucopyranuronic acid
  • Metoclopramide N4-glucuronide

Deleted or Replaced CAS Registry Numbers

27260-49-7

CAS INSIGHTSTM
Hourglass and a clock