Aluminate(2-), bis[4-amino-2-(hydroxy-κO)benzoato(2-)-κO]aquahydroxy-, calcium (1:1)

CAS Registry Number®

14641-21-5

CAS Name

Aluminate(2-), bis[4-amino-2-(hydroxy-κO)benzoato(2-)-κO]aquahydroxy-, calcium (1:1)

Molecular Formula

C14H13AlN2O8.Ca

Cite this Page

Aluminate(2-), bis[4-amino-2-(hydroxy-κO)benzoato(2-)-κO]aquahydroxy-, calcium (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14641-21-5 (retrieved 2024-11-08) (CAS RN: 14641-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/2C7H7NO3.Al.Ca.2H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;;2*1H2/q;;+3;+2;;/p-5

InChIKey

InChIKey=PXYWZCMRSWPOAX-UHFFFAOYSA-I

SMILES

[OH-][Al+3]12([OH2])([O-]C=3C(C(=O)[O-]1)=CC=C(N)C3)[O-]C=4C(C(=O)[O-]2)=CC=C(N)C4.[Ca+2]

Canonical SMILES

[Ca+2].O=C1[O-][Al+3]2([OH-])([O-]C(=O)C3=CC=C(N)C=C3[O-]2)([O-]C4=CC(N)=CC=C14)[OH2]

Other Names for this Substance

  • Aluminate(2-), bis[4-amino-2-(hydroxy-κO)benzoato(2-)-κO]aquahydroxy-, calcium (1:1)
  • Aluminate(2-), bis[4-aminosalicylato(2-)]aquahydroxy-, calcium
  • Calcium hydroxybis[4-aminosalicylato(2-)]aquoaluminate
  • Alumino-p-aminosalicylic acid calcium salt
  • Aluminoparaaminosalicylate calcium

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CAS INSIGHTSTM
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