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| CAS No.: | 7177-48-2 |
|---|---|
| Name: | Ampicillin |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C16H19N3O4S.3(H2O) |
| Molecular Weight: | 403.456 |
| Synonyms: | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, trihydrate, D-(-)-(8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, trihydrate, [2S-[2a,5a,6b(S*)]]-;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, (2S,5R,6R)-(9CI);Aminobenzylpenicillin trihydrate;Polycillin;[D-(-)-a-Aminobenzyl]penicillin trihydrate;a-Aminobenzylpenicillintrihydrate; |
| EINECS: | 200-709-7 |
| Melting Point: | 208 °C (dec.)(lit.) |
| Boiling Point: | 683.9 °C at 760 mmHg |
| Flash Point: | 367.4 °C |
| Solubility: | water: 0.1-1 g/100 mL at 21 °C; NH4OH 1 M: 50 mg/mL, clear, colorless |
| Appearance: | Odorless white microcrystalline powder with a bitter taste |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-42/43 |
| Safety: | 22-26-36/37-36 |
| PSA: | 165.72000 |
| LogP: | 1.15430 |
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Specification
The Ampicillin, also known as Amcap, is an organic compound with the formula C16H19N3O4S.3(H2O). It belongs to the product categories of Antibiotics for Research and Experimental Use; beta-Lactams (Antibiotics for Research and Experimental Use); Biochemistry. With the CAS registry number 7177-48-2, its IUPAC name is (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate. The product should be sealed and stored in cool and dry place at 2-8°C. In addition, it can be used as antibiotic medicine.
Physical properties of Ampicillin: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): -1.19; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 367.4 °C; (12)Enthalpy of Vaporization: 105.36 kJ/mol; (13)Boiling Point: 683.9 °C at 760 mmHg; (14)Vapour Pressure: 1.21E-19 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C.O.O.O
(2)InChI: InChI=1/C16H19N3O4S.3H2O/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);3*1H2/t9-,10-,11+,14-;;;/m1.../s1
(3)InChIKey: RXDALBZNGVATNY-CWLIKTDRBY
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 15200mg/kg (15200mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Antibiotiki. Vol. 20, Pg. 653, 1975. |
| rat | LD50 | oral | 10gm/kg (10000mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Antibiotiki. Vol. 20, Pg. 653, 1975. |