Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

CAS Registry Number®

13900-12-4

CAS Name

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

Molecular Formula

C16H25NO2.xC6H8O7

Cite this Page

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13900-12-4 (retrieved 2024-11-22) (CAS RN: 13900-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=VVNURWKSPYZZCI-UHFFFAOYSA-N

SMILES

C(C(OCCN(CC)CC)=O)(CC)C1=CC=CC=C1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(OCCN(CC)CC)C(C=1C=CC=CC1)CC

Other Names for this Substance

  • Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
  • Butyric acid, 2-phenyl-, 2-(diethylamino)ethyl ester, citrate
  • Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
  • 2-Diethylaminoethyl 2-phenylbutyrate citrate
  • Butethamate citrate

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