1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-glucopyranuronic acid
CAS Registry Number®
27313-54-8
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CAS Name
1-[[2-Chloro-4-[[[2-(diethylamino)ethyl]amino]carbonyl]-5-methoxyphenyl]amino]-1-deoxy-β-D-glucopyranuronic acidMolecular Formula
C20H30ClN3O8Molecular Mass
475.92Cite 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 ) (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
