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Substance Name: 2-Phosphonobutane-1,2,4-tricarboxylic acid
RN: 37971-36-1
UNII: 306P37319L
InChIKey: SZHQPBJEOCHCKM-UHFFFAOYSA-N

Note

  • Dental plaque crystal growth inhibitor.

Molecular Formula

  • C7-H11-O9-P

Molecular Weight

  • 270.129
 
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Names and Synonyms

Name of Substance

  • 2-Phosphonobutane-1,2,4-tricarboxylic acid

Synonyms

  • 2-Phosphono-1,2,4-butanetricarboxylic acid
  • 2-Phosphonobutane-1,2,4-tricarbonic acid
  • 2-Phosphonobutane-1,2,4-tricarboxylic acid
  • EC 253-733-5
  • EINECS 253-733-5
  • UNII-306P37319L

Systematic Names

  • 1,2,4-Butanetricarboxylic acid, 2-phosphono-
  • 2-Phosphonobutane-1,2,4-tricarboxylic acid

Superlist Names

  • 1,2,4-Butanetricarboxylic acid, 2-phosphono-
  • 2-Phosphonobutane-1,2,4-tricarboxylic acid
  • Butanetricarboxylic acid, 2-phosphono-1,2,4-

Registry Numbers

CAS Registry Number

  • 37971-36-1

FDA UNII

  • 306P37319L

Other Registry Number

  • 94386-13-7

Related Registry Number

  • 40372-66-5 (unspecified hydrochloride salt)

System Generated Number

  • 0037971361

Structure Descriptors

InChI

1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)

InChIKey

SZHQPBJEOCHCKM-UHFFFAOYSA-N

Smiles

C([C@@](CC(O)=O)(P(O)(O)=O)C(O)=O)CC(O)=O