Name: Basic Blue 17
SKU: 92-31-9

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Basic Information

Molecular Structure:
CAS No.:	92-31-9
Name:	Basic Blue 17

Formula:	C₁₅H₁₆ClN₃S
Molecular Weight:	305.831
Synonyms:	3-Amino-7-(dimethylamino)-2-methylphenazathioniumchloride;Phenothiazin-5-ium,3-amino-7-(dimethylamino)-2-methyl-, chloride (8CI,9CI);3-Amino-7-(dimethylamino)-2-methylphenothiazin-5-ium chloride;Blutene;Blutene chloride;Phenothiazinium, 3-amino-7-(dimethylamino)-2-methyl-, chloride;Dimethyltoluthionine chloride;
EINECS:	202-146-2
Melting Point:	>200℃
Solubility:	3.82 g/100 mL
Appearance:	green powder
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	70.39000
LogP:	1.27240

Raw Materials

636-21-5

536-46-9

Total:55 Page 1 of 2 1 2 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Specification

The Tolonium chloride with CAS registry number of 92-31-9 is also called Phenothiazin-5-ium,3-amino-7-(dimethylamino)-2-methyl-,chloride (1:1). The systematic name is 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium chloride. Its EINECS registry number is 202-146-2. In addition, the molecular formula is C₁₅H₁₆ClN₃S and the molecular weight is 305.83.

Physical properties about Tolonium chloride are: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 42.15 Å²; (5)log P (octanol-water): 5.260; (6)Water Solubility: 3.82E+04 mg/L; (7)Atmospheric OH Rate Constant: 2.66E-10 cm³/molecule-sec.

Uses of Tolonium chloride: it can be used as used as a hemostatic, a biological stain, and a dye for wool and silk. And it has also been used as a diagnostic aid for oral and gastric neoplasms. In addition, it can be used to determine DNA and RNA in histochemistry.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].CN(C)c1ccc2nc3cc(C)c(N)cc3[s+]c2c1
(2)InChI: InChI=1/C15H16N3S.ClH/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: HNONEKILPDHFOL-REWHXWOFAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
domestic animals - goat/sheep	LD50	intravenous	10mg/kg (10mg/kg)		Veterinary and Human Toxicology. Vol. 38, Pg. 329, 1996.
man	TDLo	unreported	43mg/kg/6D (43mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: OTHER CHANGES	"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 597, 1969.
mouse	LD50	intravenous	27560ug/kg (27.56mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Stanford Medical Bulletin. Vol. 9, Pg. 96, 1951.
mouse	LD50	unreported	28mg/kg (28mg/kg)		Journal of Medicinal Chemistry. Vol. 17, Pg. 902, 1974.
rabbit	LD50	intravenous	13440ug/kg (13.44mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Stanford Medical Bulletin. Vol. 9, Pg. 96, 1951.
rat	LD50	intraperitoneal	215mg/kg (215mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 204, Pg. 288, 1947.
rat	LD50	intravenous	28930ug/kg (28.93mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Stanford Medical Bulletin. Vol. 9, Pg. 96, 1951.