CAS No.69-52-3,Ampicillin sodium Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	69-52-3
Name:	Ampicillin sodium
Article Data:	4

Formula:	C₁₆H₁₈N₃NaO₄S
Molecular Weight:	371.392
Synonyms:	Alpen-N;Amcill-S;Ampicillin natrium;Ampicillin sodium;Ampicillin sodium salt;Binotal sodium;Citteral;D(-)-alpha-Aminobenzylpenicillin sodium salt;Domicillin;Monosodium (2S,5R,6R)-6-((R)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate;
EINECS:	200-708-1
Melting Point:	215 °C (dec.)(lit.)
Boiling Point:	683.9 °C at 760 mmHg
Flash Point:	367.4 °C
Solubility:	water: 50 mg/mL, clear, very faintly yellow
Appearance:	White powder
Hazard Symbols:	Xi
Risk Codes:	42/43
Safety:	22-36/37-45
PSA:	140.86000
LogP:	0.01250

Synthetic route

: 71780-15-9
N-(1-methyl-2-ethoxycarbonylvinyl)ampicillin sodium

: 69-52-3
ampicillin sodium

Conditions

Conditions	Yield
With water at 25℃; Rate constant; hydrolysis at pH 7.4;

: 69-52-3
ampicillin sodium

: 141-97-9
ethyl acetoacetate

: 71780-15-9
N-(1-methyl-2-ethoxycarbonylvinyl)ampicillin sodium

Conditions

Conditions	Yield
In isopropyl alcohol at 25℃; for 3h;	75%

Downstream Products

76497-13-7

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 50 ,1990,p. 153.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 50 ,1990,p. 153.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 50 ,1990,p. 153.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Specification

The Ampicillin sodium, with the CAS registry number 69-52-3 and EINECS registry number 200-708-1, has the systematic name of sodium (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. It is a kind of white powder, and the molecular formula of this chemical is C₁₆H₁₈N₃NaO₄S. As a semi-synthetic derivative of penicillin, it functions as an orally active broad-spectrum antibiotic. And it should be stored at 2-8°C.

The physical properties of Ampicillin sodium are as following: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 106.46 Å²; (7)Flash Point: 367.4 °C; (8)Enthalpy of Vaporization: 105.36 kJ/mol; (9)Boiling Point: 683.9 °C at 760 mmHg; (10)Vapour Pressure: 1.21E-19 mmHg at 25°C.

Synthetic method and uses of Ampicillin sodium: It can be obtained by the salifing of penbritin: Add penbritin to the water, and adjust the pH to 9 by adding sodium hydroxide solution. Then you can get the product after a series of decoloration, filtration and drying. And because of its tericidal action, it is often used in the molecular biology and also used for tissue culture(to prevent microbial contamination).

You should be cautious while dealing with this chemical. It may cause sensitization by inhalation and skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C
(2)InChI: InChI=1/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
(3)InChIKey: KLOHDWPABZXLGI-IANBRGBNBB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	5700mg/kg (5700mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
mouse	LD50	oral	> 5314mg/kg (5314mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 356, 1962.
mouse	LD50	subcutaneous	> 5314mg/kg (5314mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 356, 1962.
mouse	LDLo	intravenous	2657mg/kg (2657mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 356, 1962.
rat	LD50	intraperitoneal	7400mg/kg (7400mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
rat	LD50	oral	> 5314mg/kg (5314mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 356, 1962.
rat	LD50	subcutaneous	> 5314mg/kg (5314mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 356, 1962.
women	TDLo	oral	100mg/kg/5D (100mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: OTHER CHANGES	Lancet. Vol. 2, Pg. 707, 1978.