almecillin

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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

Synthetic Route

Click to get detail synthetic route

Related Compounds

ALMECILLIN SODIUM
Copper, tetrakis(mu-(2-((3-trifluoromethyl)phenyl)amino)-3-pyridinecarboxylate-O:O')di-, (cu-Cu)-
N-[5-(Piperidin-4-yl)-1,3,4-thiadiazol-2-yl]propanamide
N-[5-(Piperidin-4-YL)-1,3,4-thiadiazol-2-YL]acetamide
N-[5-(Piperidin-4-yl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
3-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-methylisoxazole-4-carboxylic Acid
4-(6-chloro-1H-indol-3-yl)but-3-en-2-one
1-Cyclopropyl-1-octen-6-yn-3-ol
6-chloro-1-cyclopropyl-1H-pyrrolo[3,2-c]pyridine
4-(4-Chlorobutoxy)-3-fluoroaniline
4-[4-Fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

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