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| CAS No.: | 104146-53-4 |
|---|---|
| Name: | Cefditoren Acid Sodium Salt |
| Molecular Structure: | |
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| Formula: | C19H17N6NaO5S3 |
| Molecular Weight: | 528.569 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,monosodium salt, [6R-[3(Z),6a,7b(Z)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,monosodium salt, (6R,7R)- (9CI);Cefditoren sodium;ME 1206; |
| PSA: | 244.71000 |
| LogP: | 0.86800 |
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Specification
This chemical is called Cefditoren sodium, and it's also named as -azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,sodium salt (1:1), (6R,7R)-. With the molecular formula of C19H17N6NaO5S3, its molecular weight is 528.56. The CAS registry number of this chemical is 104146-53-4. Additionally, its classification code is Drug / Therapeutic Agent.
Other characteristics of the Cefditoren sodium can be summarised as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 4.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].O=C3N2/C(=C(/C=C/c1scnc1C)CS[C@@H]2[C@@H]3NC(=O)C(=N\OC)\c4nc(sc4)N)C(=O)O
2.InChI: InChI=1/C19H18N6O5S3.Na/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10;/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29);/q;+1/b4-3+,24-12+;/t13-,17-;/m1./s1
3.InChIKey: VFUMWBZIKOREOO-ZSCWKNKWBF
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD | intravenous | > 2gm/kg (2000mg/kg) | Chemotherapy Vol. 40(Suppl, | |
| mouse | LD50 | intravenous | > 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Chemotherapy Vol. 40(Suppl, |
| rat | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Chemotherapy Vol. 40(Suppl, |
| rat | LD50 | intravenous | > 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | Chemotherapy Vol. 40(Suppl |