Sodium 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate (2:1)

CAS Registry Number®

138908-40-4
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CAS Name

Sodium 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate (2:1)

Molecular Formula

C20H20ClNO7.2Na

Cite this Page

Sodium 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138908-40-4 (retrieved 2024-05-04) (CAS RN: 138908-40-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/t11-,15+;;/m1../s1

InChIKey

InChIKey=UVJBVPHQFYWKJL-CFOQQKEYSA-N

SMILES

C(O)(=O)C1(C(O)=O)OC=2C(O1)=CC(C[C@H](NC[C@H](O)C3=CC(Cl)=CC=C3)C)=CC2.[Na]

Canonical SMILES

[Na].O=C(O)C1(OC2=CC=C(C=C2O1)CC(NCC(O)C=3C=CC=C(Cl)C3)C)C(=O)O

Other Names for this Substance

  • 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-, sodium salt (1:2)
  • 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-, disodium salt, [R-(R*,R*)]-
  • 1,3-Benzodioxole-2,2-dicarboxylic acid, 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-, disodium salt
  • Sodium 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate (2:1)
  • CL 316243

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Deleted or Replaced CAS Registry Numbers

151126-84-0

CAS INSIGHTSTM
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