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Ticarcillin disodium salt

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Name

Ticarcillin disodium salt

EINECS 628-059-3
CAS No. 4697-14-7 Density N/A
PSA 183.21000 LogP -1.79260
Solubility easily soluble in water Melting Point N/A
Formula C15H14N2Na2O6S2 Boiling Point 768.3oC at 760 mmHg
Molecular Weight 428.397 Flash Point 418.4oC
Transport Information N/A Appearance lacte amorphous powder
Safety 26-36/37 Risk Codes 36/37/38-42/43
Molecular Structure Molecular Structure of 4697-14-7 (Ticarcillin disodium salt) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

3-Thiophenemalonamicacid, N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-,disodium salt (7CI,8CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[(carboxy-3-thienylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt,(2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[(carboxy-3-thienylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt, [2S-(2a,5a,6b)]-;Aerugipen;Ticillin;Ticarcilline disodium;N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid disodium salt;

 

Ticarcillin disodium salt Specification

The Ticarcillin disodium salt, with the CAS registry number 4697-14-7, is also known as N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid disodium salt. This chemical's molecular formula is C15H14N2Na2O6S2 and molecular weight is 428.39. What's more, its systematic name is Disodium (2S,5R,6R)-6-{[carboxylato(3-thienyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. Its classification codes are: (1)Antibacterial; (2)Drug / Therapeutic Agent; (3)Reproductive Effect. This chemical is an antibiotic derived from penicillin similar to carbenicillin in action. It can be used for the treatment of clinical sepsis, urinary tract infections, respiratory infections and biliary tract infections, and also used in patients with leukemia and malignant secondary infection. It is also valid with typhoid fever.

Physical properties of Ticarcillin disodium salt are: (1)#H bond acceptors: 8; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 174.42 Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)C(c1ccsc1)C([O-])=O)[C@H]3SC2(C)C
(2)Std. InChI: InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7?,8-,9+,12-;;/m1../s1
(3)Std. InChIKey: ZBBCUBMBMZNEME-UBXQQCHXSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 4gm/kg (4000mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
dog LD50 subcutaneous 7gm/kg (7000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
mouse LD50 intraperitoneal 7800mg/kg (7800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
mouse LD50 intravenous 5200mg/kg (5200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
mouse LD50 oral > 16gm/kg (16000mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
mouse LD50 subcutaneous 10700mg/kg (10700mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rabbit LD50 intravenous > 8gm/kg (8000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rabbit LD50 subcutaneous > 11gm/kg (11000mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rat LD50 intraperitoneal 7200mg/kg (7200mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rat LD50 intravenous 5350mg/kg (5350mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rat LD50 oral 16gm/kg (16000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rat LD50 subcutaneous 10gm/kg (10000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE
Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.

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