Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Trolnitrate phosphate [BAN]
RN: 588-42-1
UNII: 13330D1K2A
InChIKey: UOCLRXFKRLRMKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-N4-O9.2H3-O4-P

Molecular Weight

  • 480.167
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Trolnitrate phosphate
  • Trolnitrate phosphate [BAN]

Synonyms

  • 2,2',2''-Nitrilotriethanol trinitrate phosphate
  • 2,2',2'-Nitrilotrisethanol trinitrate (ester) phosphate (1:2) (salt)
  • Aminotrate phosphate
  • Angitrit
  • Bentonyl
  • Duronitrin
  • EINECS 209-617-1
  • Kardin
  • Metamin
  • Metamine
  • Nitranol
  • Nitranolum
  • Nitretamin
  • Nitretamin phosphate
  • Nitrin
  • Nitrine
  • Nitrocardiol
  • Nitroduran
  • Ortin
  • Praenitron
  • Praenitrona
  • Prenitron
  • Thibetine
  • Trianate
  • Tricoryl
  • Triethanolamine trinitrate biphosphate
  • Triethanolamine trinitrate diphosphate
  • Trisustan
  • Trolmine
  • Trolnitrate phosphate
  • UNII-13330D1K2A
  • Vasomed

Systematic Names

  • 2,2',2''-Nitrilotrisethanol trinitrate (ester) phosphate (1:2) (salt)
  • Ethanol, 2,2',2''-nitrilotris-, trinitrate (ester), phosphate (1:2) (salt) (9CI)
  • Trolnitrate phosphate

Registry Numbers

CAS Registry Number

  • 588-42-1

FDA UNII

  • 13330D1K2A

Related Registry Number

  • 7077-34-1 (Parent)

System Generated Number

  • 0000588421

Molecular Formulas

Molecular Formula

  • C6-H12-N4-O9.2H3-O4-P

Molecular Formula Fragments

  • C6-H12-N4-O9
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C6H12N4O9.2H3O4P/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16;2*1-5(2,3)4/h1-6H2;2*(H3,1,2,3,4)

InChIKey

UOCLRXFKRLRMKV-UHFFFAOYSA-N

Smiles

N(CCO[N+](=O)[O-])(CCO[N+](=O)[O-])CCO[N+](=O)[O-].OP(=O)(O)O.OP(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Drugs in Japan Vol. 6, Pg. 535, 1982.
mouse LD50 intravenous 100mg/kg (100mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 1401, 1976.
mouse LD50 oral 330mg/kg (330mg/kg)   Drugs in Japan Vol. 6, Pg. 535, 1982.
mouse LD50 subcutaneous 141mg/kg (141mg/kg)   Drugs in Japan Vol. 6, Pg. 535, 1982.
rat LD50 intraperitoneal 23mg/kg (23mg/kg)   Drugs in Japan Vol. 6, Pg. 535, 1982.
rat LD50 oral 130mg/kg (130mg/kg)   Drugs in Japan Vol. 6, Pg. 535, 1982.
rat LD50 subcutaneous 34mg/kg (34mg/kg)   Drugs in Japan Vol. 6, Pg. 535, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108 deg C   EXP
log P (octanol-water) 1.280 (none)   EST
Atmospheric OH Rate Constant 6.43E-12 cm3/molecule-sec 25 EST

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