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Purpurin

Purpurin structure

CAS No:
81-54-9
Formula:
C14H8O5
Chemical Name:
Purpurin
Synonyms:
9,10-Anthracenedione,1,2,4-trihydroxy-;Purpurin;Anthraquinone,1,2,4-trihydroxy-;1,2,4-Trihydroxy-9,10-anthracenedione;C.I. 58205;C.I. 75410;Hydroxylizaric acid;Smoke Brown G;Verantin;Purpurine;Purpurin (dye);1,2,4-Trihydroxyanthraquinone;1,2,4-Trihydroxy-9,10-anthraquinone;NSC 10447;1,2,4-Trihydroxy-9,10-dihydroanthracene-9,10-dione
Categories:
Chemical Reagents > Organic Reagents

Description

Purpurin is a natural anthraquinone compound from Rubia tinctorum L.. Purpurin has antidepressant-like effects[1].

Purpurin is a trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. It has a role as a biological pigment, a histological dye and a plant metabolite.

Purpurin Basic Attributes

Molecular Weight：

256.21

Exact Mass：

256.21

EC Number：

201-359-8

UNII：

L1GT81LS6N

NSC Number：

10447

DSSTox ID：

DTXSID4021214

HScode：

29146990

Characteristics

PSA：

94.8

XLogP3：

4.60

Appearance：

Brown-red to brown Powder

Density：

1.7±0.1 g/cm3

Melting Point：

259 °C

Boiling Point：

525.1±45.0 °C at 760 mmHg

Flash Point：

113 °C

Refractive Index：

1.773

Water Solubility：

6.405mg/L(25 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-34-11

safety instructions：

26-36-45-36/37/39-16

RTECS Number：

CB8200000

Marks：

Xi,C,F

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 128 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS. (See all compounds classified as Coloring Agents.)

MeSH Entry Terms：

1,2,4-trihydroxy-9,10-anthracenedione

Purpurin Use and Manufacturing

Purpurin is a naturally occurring reddish-yellow pigment found in madder root (R. tinctorum) that has been used both in herbal remedies and as food coloring. It can also by synthetically derived from 9,10-anthraquinone. Purpurin is protective against a number of food-derived heterocyclic amines in bacterial mutagenicity assays through its inhibition of CYP450-dependent N-hydroxylation and reduction of N-hydroxylamines. Purpurine can also inhibit (IC50 = 6.6 μM) spermidine-induced autoactivation of plasma hyaluronan-binding protein, a serine protease that can activate coagulation factor VII and prourokinase.

Computed Properties

Molecular Weight:256.21
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:256.03717335
Monoisotopic Mass:256.03717335
Topological Polar Surface Area:94.8
Heavy Atom Count:19
Complexity:407
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Purpurin

CAS No.: 81-54-9

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