almecillin

Modify Date: 2024-01-24 15:30:18

almecillin structure	Common Name	almecillin
	CAS Number	87-09-2	Molecular Weight	330.42300
	Density	1.41g/cm3	Boiling Point	629.8ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₈N₂O₄S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	334.7ºC

Name	penicillin O
Synonym	More Synonyms

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
InChIKey	QULKGELYPOJSLP-WCABBAIRSA-N
SMILES	C=CCSCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O

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

Acetic acid, (2...

CAS#:20600-63-9

almecillin

CAS#:87-09-2

Literature: Behrens et al. Journal of Biological Chemistry, 1948 , vol. 175, p. 801 Journal of the American Chemical Society, 1948 , vol. 70, p. 2855

3-(7,7-dimethyl...

CAS#:784189-22-6

almecillin

CAS#:87-09-2

Literature: Behrens et al. Journal of Biological Chemistry, 1948 , vol. 175, p. 801 Journal of the American Chemical Society, 1948 , vol. 70, p. 2855

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

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.