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| CAS No.: | 52-62-0 |
|---|---|
| Name: | PENTOLINIUM TARTRATE |
| Molecular Structure: | |
|
|
|
| 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 NOx. |
| PSA: | 235.78000 |
| LogP: | -4.35950 |
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- Total:23 Page 1 of 1 1
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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 NOx.
Hazard Codes: 
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.