Ticarcillin disodium salt (4697-14-7),Ticarcillin disodium salt (4697-14-7) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-, sodium salt(1:2), (2S,5R,6R)-
Superlist Name:
Ticarcillin disodium salt
CAS No.:
4697-14-7
Molecular Structure:
Formula:
C₁₅H₁₄N₂Na₂O₆S₂
Molecular Weight:
428.41
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;
Boiling Point:
768.3 °C at 760 mmHg
Flash Point:
418.4 °C
Hazard Symbols:
Xn, Xi
Risk Codes:
36/37/38-42-43-42/43
Safety Description:
26-36/37 Details

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Chemistry

Molecular Formula: C₁₅H₁₄N₂Na₂O₆S₂
Molar mass: 290.1723 g/mol
storage temp: 2-8°C
Flash Point: 418.4 °C
Water solubility: > 100g/100m1
Boiling Point: 768.3 °C at 760 mmHg
Vapour Pressure: 7.97E-25 mmHg at 25°C
Appearance: Milky white non-crystalline powder, has cited moist
Structure of Ticarcillin disodium salt(4697-14-7):

Systematic Name: Disodium (2S,5R,6R)-6-{[carboxylato(thiophen-3-yl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES: [Na+].[Na+].O=C([O-])[C@@H]2N3C(=O)[C@@H](NC(=O)C(c1ccsc1)C([O-])=O)[C@H]3SC2(C)C
InChI: InChI=1/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
InChIKey: ZBBCUBMBMZNEME-CEEQMCTOBK
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
Std. InChIKey: ZBBCUBMBMZNEME-UBXQQCHXSA-L

Uses

Ticarcillin disodium salt (CAS NO.4697-14-7) 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.

Production

Take 2 - Thiophene -2 - benzyloxycarbonyl chloride (Ⅱ) on 6-APA of the benzyl ester for acylation, obtained compound (Ⅳ), and then hydrogenolysis, and neutralization with sodium bicarbonate,at last get Ticarcillin disodium salt (CAS NO.4697-14-7).

Toxicity Data With Reference

dog	LD50	intravenous	> 4gm/kg (4000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: NAUSEA OR VOMITING	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)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE	Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rat	LD50	intravenous	5350mg/kg (5350mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 556, 1978.
rat	LD50	oral	16gm/kg (16000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	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.

Safety Profile

Mildly toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of SO_x, NO_x, and Na₂O.
Hazard Codes: Xn,Xi
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
42: During fumigation/spraying wear suitable respiratory equipment (appropriate wording to be specified)
43: May cause sensitization by skin contact
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves

Specification

Ticarcillin disodium salt , its cas register number is 4697-14-7. It also can be called Ticarcillin sodium ; Timentin sodium ; and (2S,5R,6R)-6-[[(2R)-Carboxy-3-thienylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid disodium salt .