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Substance Name: Pentrinitrol [USAN:INN]
RN: 1607-17-6
UNII: 4SL9HWA66P
InChIKey: BRBAEHHXGZRCBK-UHFFFAOYSA-N

Note

  • Coronary vasodilator agent.

Molecular Formula

  • C5-H9-N3-O10

Molecular Weight

  • 271.137
 

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Vasodilator (Coronary)
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Names and Synonyms

Name of Substance

  • Pentrinitrol
  • Pentrinitrol [USAN:INN]

Synonyms

  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, mononitrate (ester)
  • EINECS 216-529-7
  • Pentaerythritol trinitrate
  • Pentrinitrol
  • Pentrinitrolum
  • Pentrinitrolum [INN-Latin]
  • Petrin
  • UNII-4SL9HWA66P
  • W 2197

Systematic Names

  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1-nitrate
  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, mononitrate (ester)
  • Pentrinitrol
  • Petrin

Registry Numbers

CAS Registry Number

  • 1607-17-6

FDA UNII

  • 4SL9HWA66P

Other Registry Number

  • 22026-67-1

System Generated Number

  • 0001607176

Structure Descriptors

InChI

1S/C5H9N3O10/c9-1-5(2-16-6(10)11,3-17-7(12)13)4-18-8(14)15/h9H,1-4H2

InChIKey

BRBAEHHXGZRCBK-UHFFFAOYSA-N

Smiles

C(CO[N+](=O)[O-])(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 3, Pg. 1636, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 0.990 (none)   EST
Water Solubility 7050 mg/L 20 EXP
Atmospheric OH Rate Constant 5.38E-12 cm3/molecule-sec 25 EST

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