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Trimethylphloroglucinol

Trimethylphloroglucinol structure

CAS No:
4463-03-0
Formula:
C9H12O3
Chemical Name:
Trimethylphloroglucinol
Synonyms:
1,3,5-Benzenetriol,2,4,6-trimethyl-;Phloroglucinol,trimethyl-;2,4,6-Trimethyl-1,3,5-benzenetriol;2,4,6-Mesitylenetriol;Trimethylphloroglucinol;2,4,6-Trimethylphloroglucinol;2,4,6-Trihydroxymesitylene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Pale Orange Solid

Trimethylphloroglucinol Basic Attributes

Molecular Weight：

168.192

Exact Mass：

168.19

DSSTox ID：

DTXSID80196258

HScode：

2907299090

Characteristics

PSA：

60.7

XLogP3：

1.71240

Density：

1.259g/cm3

Melting Point：

184-185 °C

Boiling Point：

327.3ºC at 760 mmHg

Flash Point：

162.6ºC

Refractive Index：

1.611

Drug Information

MeSH：

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)

MeSH Entry Terms：

1,3,5-trimethoxybenzene

Trimethylphloroglucinol Use and Manufacturing

TriMethylphloroglucinol is used to reduce the pain intensity of irritable bowel syndrome,it is a kind of antispasmodic agent. It is also used before the hysteroscopic surgery as a means to efficaciously soften the cervix.

Computed Properties

Molecular Weight:168.19
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:168.078644241
Monoisotopic Mass:168.078644241
Topological Polar Surface Area:60.7
Heavy Atom Count:12
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes