almecillin
Names
[ CAS No. ]:
87-09-2
[ Name ]:
almecillin
[Synonym ]:
Almezillin
(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
Almecilina
Allylmercaptomethylpenicillinic acid
allylsulfanylmethyl-penicillin
Penicillin AT
ALMECILLIN
Allylthiomethylpenicillin
Almecillinum
Penicillin O
Benzathin-penicillin V
Allylmercaptomethyl-penicillin
Almecilline
Chemical & Physical Properties
[ Density]:
1.41g/cm3
[ Boiling Point ]:
629.8ºC at 760 mmHg
[ Molecular Formula ]:
C13H18N2O4S2
[ Molecular Weight ]:
330.42300
[ Flash Point ]:
334.7ºC
[ Exact Mass ]:
330.07100
[ PSA ]:
137.31000
[ LogP ]:
0.86610
[ Index of Refraction ]:
1.631
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XI0100000
- CHEMICAL NAME :
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((2-propenylthio) acetyl)amino)-
- CAS REGISTRY NUMBER :
- 87-09-2
- BEILSTEIN REFERENCE NO. :
- 0044307
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C13-H18-N2-O4-S2
- MOLECULAR WEIGHT :
- 330.45
- WISWESSER LINE NOTATION :
- T45 ANV ESTJ CMV1S2U1 F1 F1 GVQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Multiple routes
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 35827 ug/kg/6D-I
- TOXIC EFFECTS :
- Vascular - structural changes in vessels
- REFERENCE :
- JOALAS Journal of Allergy. (St. Louis, MO) V.1-47, 1929-71. For publisher information, see JACIBY. Volume(issue)/page/year: 31,455,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intracerebral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 45 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes
- REFERENCE :
- JLCMAK Journal of Laboratory and Clinical Medicine. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1915- Volume(issue)/page/year: 34,126,1949
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intracerebral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 6490 ug/kg
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes
- REFERENCE :
- JLCMAK Journal of Laboratory and Clinical Medicine. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1915- Volume(issue)/page/year: 34,126,1949
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes
- REFERENCE :
- JLCMAK Journal of Laboratory and Clinical Medicine. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1915- Volume(issue)/page/year: 34,126,1949
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intracerebral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 5610 ug/kg
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes
- REFERENCE :
- JLCMAK Journal of Laboratory and Clinical Medicine. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63141) V.1- 1915- Volume(issue)/page/year: 34,126,1949