CAS No.52-62-0,PENTOLINIUM TARTRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52-62-0
Name:	PENTOLINIUM TARTRATE

Formula:	C₁₅H₃₂N₂•2C₄H₅O₆
Molecular Weight:	538.67
Synonyms:	1,1'-PENTAMETHYLENEBIS(1-METHYLPYRROLIDINIUM HYDROGEN TARTRATE);PENTOLINIUM DI(L-+-TARTRATE);PENTOLINIUM TARTRATE;1,1’-pentamethylenebis(1-methylpyrrolidiniumtartrate);1,1’-pentamethylenebis(1-methyl-pyrrolidiniutartrate(1:2);ansolysen;ansolysenbitartrate;ansolysentartrate
Density:	g/cm³
Melting Point:	215 °C
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Hazard Symbols:	Xn
Risk Codes:	R36/37/38; R22
Safety:	Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	235.78000
LogP:	-4.35950

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Chemistry

Molecule structure of Pentolinium tartrate (CAS NO.52-62-0):

IUPAC Name: 1-Methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium; 2,3,4-trihydroxy-4-oxobutanoate
Molecular Weight: 538.58578 g/mol
Molecular Formula: C₂₃H₄₂N₂O₁₂
Melting Point: 215 °C
Storage Temp.: 2-8 °C
Merck: 13.7210
H-Bond Donor: 6
H-Bond Acceptor: 12
Rotatable Bond Count: 10
Exact Mass: 538.273775
MonoIsotopic Mass: 538.273775
Topological Polar Surface Area: 236
Heavy Atom Count: 37
Complexity: 347
Canonical SMILES: C[N+]1(CCCC1)CCCCC[N+]2(CCCC2)C.C(C(C(=O)[O-])O)(C(=O)O)O.C(C(C(=O)[O-])
O)(C(=O)O)O
InChI: InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2
InChIKey: HSMKTIKKPMTUQH-UHFFFAOYSA-L
EINECS: 200-146-7
Product Categories: Heterocycles

Toxicity Data With Reference

1.	orl-rat LD50:890 mg/kg	PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 120 (1965),511.
2.	orl-mus LD50:512 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),780.
3.	ipr-mus LD50:36 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),780.
4.	scu-mus LDLo:94 mg/kg CLDND*
5.	ivn-mus LD50:29 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),780.
6.	ivn-dog LD50:10 mg/kg	JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 46 (1957),346.

Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Harmful Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 3249
RTECS: UY4900000
HazardClass: 6.1(b)
PackingGroup: III

Specification

Pentolinium tartrate (CAS NO.52-62-0) is also called 1,1'-Pentamethylenebis(1-methylpyrrolidinium hydrogen tartrate) ; 1,1'-Pentamethylenebis(1-methylpyrrolidinium tartrate) ; Ansolysen ; Ansolysen bitartrate ; Ansolysen tartrate ; Butanoic acid, 2,3-dihydroxy- (2R,3R)-, ion(1-), 1,1'-(1,5-pentanediyl)bis(1-methylpyrrolidinium) (2:1) ; MB 2050A ; Pendine ; Pentamethylene-1,5-bis(1'-methylpyrrolidinium tartrate) ; Pentapyrrolidium bitartrate ; Pentilium ; Pentolinio tartrato ; Pentolinio tartrato [DCIT] ; Pentolinium bitartrate ; Pentolinium ditartrate ; Pentolinium tartrate ; Pentolonii tartras ; Pentolonii tartras [INN-Latin] ; Pyrrolidinium 1,1'-(1,5-pentanediyl)bis-(1-methyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate ; Recuryl ; Tartaric acid, ion(1-), 1,1'-pentamethylenebis(1-methylpyrrolidinium) (2:1) ; Tartrate de pentolonium ; Tartrato de pentolonio ; Tensilest ; UNII-953357GACY . Pentolinium tartrate (CAS NO.52-62-0) is white to cream crystalline powder.