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Substance Name: Ammonium mandelate [USP]
RN: 530-31-4
UNII: 6PGE18556E
InChIKey: BDEXTKUJIZCFST-UHFFFAOYSA-N

Molecular Formulas

  • C8-H7-O3.H4-N
  • C8-H8-O3.H3-N

Molecular Weight

  • 169.179
 
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Names and Synonyms

Name of Substance

  • Ammonium mandelate
  • Ammonium mandelate [USP]

Synonyms

  • AI3-36574
  • alpha-Hydroxybenzeneacetic acid monoammonium salt
  • Amdelate
  • Ammoket
  • Ammonium amygdalicum
  • Ammonium mandelate
  • EINECS 208-475-8
  • Mandicid
  • Pamisyl sodium
  • UNII-6PGE18556E

Systematic Names

  • Ammonium mandelate
  • Benzeneacetic acid, alpha-hydroxy-, ammonium salt
  • Benzeneacetic acid, alpha-hydroxy-, monoammonium salt (9CI)
  • Mandelic acid, ammonium salt
  • Mandelic acid, monoammonium salt (8CI)

Registry Numbers

CAS Registry Number

  • 530-31-4

FDA UNII

  • 6PGE18556E

Related Registry Number

  • 90-64-2 (Parent)

System Generated Number

  • 0000530314

Molecular Formulas

Molecular Formulas

  • C8-H7-O3.H4-N
  • C8-H8-O3.H3-N

Molecular Formula Fragments

  • C8-H7-O3
  • C8-H8-O3
  • COMPONENT
  • H3-N
  • H4-N

Structure Descriptors

InChI

1S/C8H8O3.H3N/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7,9H,(H,10,11);1H3

InChIKey

BDEXTKUJIZCFST-UHFFFAOYSA-N

Smiles

c1([C@@H](C(=O)O)O)ccccc1.N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 5gm/kg (5000mg/kg) GASTROINTESTINAL: GASTRITIS

LIVER: OTHER CHANGES
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 64, Pg. 79, 1940.
rat LDLo oral 5gm/kg (5000mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 64, Pg. 79, 1940.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.620 (none)   EST
Atmospheric OH Rate Constant 6.87E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.