CAS No.2447-54-3,SANGUINARINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2447-54-3
Name:	SANGUINARINE
Article Data:	6

Formula:	C₂₀H₁₄NO₄
Molecular Weight:	332.335
Synonyms:	Sanguinarine(8CI);Pseudochelerythrine;Sanguinarium;
EINECS:	219-503-3
Density:	1.3463 (rough estimate)
Melting Point:	205-215 °C
Boiling Point:	483.53°C (rough estimate)
Risk Codes:	25
Safety:	13-45
Transport Information:	UN 1544
PSA:	40.80000
LogP:	3.42810

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Specification

The (1,3)-Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl- (9CI), with the formula C₂₀H₁₄NO₄, is a quaternary ammonium salt from the group of benzylisoquinoline alkaloids. The systematic name of this chemical is 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium. With the CAS registry number 2447-54-3 and EINECS 219-503-3, it is also named as Sanguinarine. The product's category is Alkaloids. It kills cells and may destroy tissue if applied to the skin. What's more, this chemical is extracted from some plants, including bloodroot (Sanguinaria canadensis), Mexican prickly poppy Argemone mexicana, Chelidonium majus and Macleaya cordata. And it is synthesized from dihydrosanguinarine through the action of Dihydrobenzophenanthridine oxidase in plants.

The other characteristics of (1,3)-Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13-methyl- (9CI) can be summarized as: (1)XLogP3-AA: 4.4; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 0; (5)Exact Mass: 332.092283; (6)MonoIsotopic Mass: 332.092283; (7)Topological Polar Surface Area: 40.8; (8)Heavy Atom Count: 25; (9)Formal Charge: 1; (10)Complexity: 530; (11)Isotope Atom Count: 0; (12)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed, so people should keep it away from food, drink and animal foodstuffs. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C
2. InChI:InChI=1/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
3. InChIKey:INVGWHRKADIJHF-UHFFFAOYAZ

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	subcutaneous	120mg/kg (120mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 135, 1960.
dog	LD50	subcutaneous	70mg/kg (70mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 135, 1960.
frog	LD50	subcutaneous	70mg/kg (70mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 135, 1960.
mouse	LD50	intraperitoneal	18mg/kg (18mg/kg)		"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 195, 1982.
mouse	LD50	intravenous	19400ug/kg (19.4mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Farmakologiya i Toksikologiya Vol. 29, Pg. 76, 1966.
mouse	LD50	subcutaneous	80mg/kg (80mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 135, 1960.
rabbit	LD50	subcutaneous	125mg/kg (125mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 135, 1960.
rat	LC50	inhalation	2200gm/m³ (2200000mg/m³)		Toxicologist. Vol. 5, Pg. 176, 1985.
rat	LD50	intraperitoneal	18mg/kg (18mg/kg)		Indian Journal of Cancer. Vol. 5, Pg. 183, 1968.
rat	LD50	intravenous	28700ug/kg (28.7mg/kg)		Toxicologist. Vol. 5, Pg. 176, 1985.
rat	LD50	oral	1660mg/kg (1660mg/kg)		Toxicologist. Vol. 5, Pg. 176, 1985.