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| CAS No.: | 532-76-3 |
|---|---|
| Name: | HEXYLCAINE HYDROCHLORIDE (1 G) |
| Molecular Structure: | |
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| Formula: | C16H23 N O2 . Cl H |
| Molecular Weight: | 297.825 |
| Synonyms: | 2-Propanol,1-(cyclohexylamino)-, benzoate (ester), hydrochloride (8CI,9CI); 2-Propanol,1-(cyclohexylamino)-, benzoate, hydrochloride (7CI); 1-Cyclohexylamino-2-propylbenzoate hydrochloride; Cyclaine; Cyclaine hydrochloride; Hexylcainehydrochloride |
| EINECS: | 208-544-2 |
| Density: | g/cm3 |
| Melting Point: | 177-178.5° |
| Boiling Point: | 385.3 °C at 760 mmHg |
| Flash Point: | 186.8 °C |
| Safety: | Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion. A local anesthetic. When heated to decomposition it emits very toxic fumes of HCl and NOx. |
| PSA: | 38.33000 |
| LogP: | 4.34710 |
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Chemistry
Molecule structure of Cyclaine (CAS NO.532-76-3):
IUPAC Name: 1-(Cyclohexylamino)propan-2-yl benzoate hydrochloride
Molecular Weight: 297.82026 g/mol
Molecular Formula: C16H24ClNO2
Boiling Point: 385.3 °C at 760 mmHg
Flash Point: 186.8 °C
Enthalpy of Vaporization: 63.4 kJ/mol
Vapour Pressure: 3.86E-06 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 297.149557
MonoIsotopic Mass: 297.149557
Topological Polar Surface Area: 38.3
Heavy Atom Count: 20
Complexity: 268
Canonical SMILES: CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2.Cl
InChI: InChI=1S/C16H23NO2.ClH/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H
InChIKey: MTFCPNHRBINLRQ-UHFFFAOYSA-N
EINECS: 208-544-2
Classification Code of Cyclaine (CAS NO.532-76-3): Drug / Therapeutic Agent
Toxicity Data With Reference
| 1. | orl-mus LD50:1080 mg/kg | 29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,57. | ||
| 2. | scu-mus LD50:1080 mg/kg | CLDND* Compilation of LD50 Values of New Drugs. 5 (1971),683. | ||
| 3. | scu-rbt LD50:164 mg/kg | CLDND* Compilation of LD50 Values of New Drugs .(J.R. MacDougal,Dept. of National Health and Welfare, Food and Drug Divisions,Ottawa, Ontario, Canada.: )1969,57. | ||
| 4. | scu-gpg LD50:166 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 93 (1948),388. | ||
| 5. | ivn-rbt LD50:14 mg/kg | 29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,57. |
Safety Profile
Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion. A local anesthetic. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Specification
Cyclaine (CAS NO.532-76-3) is also named as 1-(Cyclohexylamino)-2-propanol benzoate (ester) hydrochloride ; Benzoic acid, (2-(cyclohexylamino)-1-methyl)ethyl ester, hydrochloride ; D 109 ; Hexylcaine HCl ; Hexylcaine hydrochloride ; UNII-V00NQ7SDYI ; (2-(Benzoyloxy)propyl)cyclohexylammonium chloride ; 2-Propanol, 1-(cyclohexylamino)-, benzoate (ester), hydrochloride .