Allylmercaptomethylpenicillin: 0 Products found
Name
Allylmercaptomethylpenicillin
EINECS
CAS No.
87-09-2
Density
Solubility
Melting Point
Formula
C13H18 N2 O4 S2
Boiling Point
Molecular Weight
330.45
Flash Point
Transport Information
Appearance
Safety
Poison by intracerebral and intraspinal routes. Human systemic effects by multiple routes: changes in blood vessels. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also PENICILLIN and ALLYL COMPOUNDS.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-6-[[(2-propenylthio)acetyl]amino]-, (2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[[(2-propenylthio)acetyl]amino]-, [2S-(2a,5a,6b)]-; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[2-(allylthio)acetamido]-3,3-dimethyl-7-oxo- (7CI,8CI); Penicillin O (6CI);Allomercaptomethylpenicillin; Allylmercaptomethylpenicillin;Allylmercaptomethylpenicillinic acid; Allylthiomethylpenicillin; Almecillin;Cer-O-Cillin; Penicillin AT; Penicillin, [(2-propenylthio)methyl]-

History

Formaldehyde was first reported by the Russian chemist Aleksandr Butlerov (1828-1886), but it was conclusively identified by August Wilhelm von Hofmann.

Chemistry

The Molecular Structure of Allylmercaptomethylpenicillin (CAS NO.87-09-2):
Molecular Formula: C13H18N2O4S2
Molecular Weight: 330.423020 g/mol
IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Density: 1.41 g/cm3
Classification: Drug / Therapeutic Agent,Human Data
Flash Point: 334.7 °C
Enthalpy of Vaporization: 101.67 kJ/mol
Boiling Point: 629.8 °C at 760 mmHg
Vapour Pressure: 1.76E-17 mmHg at 25°C
Nominal Mass: 330 Da
Average Mass: 330.423 Da
Monoisotopic Mass: 330.070797 Da 
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -1.2
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
Polar Surface Area: 117.52Å2
Index of Refraction: 1.631
Molar Refractivity: 83.3 cm3
Molar Volume: 233.8 cm3
Surface Tension: 64.6 dyne/cm  

Toxicity

1.    

mul-wmn LDLo:35,827 µg/kg/6D-I:CVS

    JOALAS    Journal of Allergy, Including Allergy Abstracts. 31 (1960),455.
2.    

ice-mus LD50:45 mg/kg

    JLCMAK    Journal of Laboratory and Clinical Medicine. 34 (1949),126.
3.    

ice-dog LD50:6490 µg/kg

    JLCMAK    Journal of Laboratory and Clinical Medicine. 34 (1949),126.
4.    

isp-dog LD50:38 mg/kg

    JLCMAK    Journal of Laboratory and Clinical Medicine. 34 (1949),126.
5.    

ice-rbt LD50:5610 µg/kg

    JLCMAK    Journal of Laboratory and Clinical Medicine. 34 (1949),126.

Safety

Poison by intracerebral and intraspinal routes. Human systemic effects by multiple routes: changes in blood vessels. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also PENICILLIN and ALLYL COMPOUNDS.

Others

Allylmercaptomethylpenicillin (CAS NO.87-09-2) is also called as Almecillin [INN] ; Penicillin O ; (2S,5R,6R)-6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure ; 4-27-00-05887 (Beilstein Handbook Reference) ; 6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid ; Allylmercaptomethylpenicillinic acid ; Allylthiomethylpenicillin ; Almecilina ; Almecilina [INN-Spanish] ; Almecillin ; Almecillina ; Almecillina [DCIT] ; Almecilline ; Almecilline [INN-French] ; Almecillinum ; Almecillinum [INN-Latin] ; Almezillin ; BRN 0044307 ; Cer-O-Cillin ; Penicillin AT ; Penicillin O ; UNII6246WH0S1O ; 3,3-Dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid ; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)- .