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Home > Encyclopedia > Pentaerythritol, trinitrate

Pentaerythritol, trinitrate

pharmaceutical raw materials
Pentaerythritol, trinitrate structure

Pentaerythritol, trinitrate 

structure
  • CAS No:

    1607-17-6

  • Formula:

    C5H9N3O10

  • Chemical Name:

    Pentaerythritol, trinitrate

  • Synonyms:

    1,3-Propanediol,2,2-bis[(nitrooxy)methyl]-,1-nitrate;Pentaerythritol,trinitrate;1,3-Propanediol,2,2-bis[(nitrooxy)methyl]-,mononitrate (ester);Petrin;Pentrinitrol;Pentaerythrityl trinitrate;W 2197;3-Nitrooxy-2,2-bis(nitrooxymethyl)propan-1-ol;2,2-Bis[(nitrooxy)methyl]-3-(nitrooxy)propan-1-ol;22026-67-1

Description

Pentrinitrol is a nitrate ester.

Pentaerythritol, trinitrate Basic Attributes

271.138

271.14

216-529-7

4SL9HWA66P

Characteristics

185

0.15960

d420 1.554

<25 °C

278.7±40.0 °C(Predicted)

122.3ºC

nD20 1.4941

0.000513mmHg at 25°C

LD50 ipr-mus: 200 mg/kg 85ERAY 3,1636,78

Safety Information

II

1.1A

473

Drug Information

2,2-bis-(hydroxymethyl)propane-1,3-diol trinitrate

Pentaerythritol, trinitrate Use and Manufacturing

Uses

Vasodilator (coronary).

1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, 1-nitrate: INACTIVE

Computed Properties

Molecular Weight:271.14
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:271.02879349
Monoisotopic Mass:271.02879349
Topological Polar Surface Area:185
Heavy Atom Count:18
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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