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| CAS No.: | 69739-16-8 |
|---|---|
| Name: | Cefodizime |
| Molecular Structure: | |
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| Formula: | C20H20N6O7S4 |
| Molecular Weight: | 584.679 |
| Synonyms: | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-,[6R-[6a,7b(Z)]]-;7-(α-(Z)-Methoxyimino-α-(2-aminothiazol-4-yl)acetamido)-3-((5-carboxymethyl-4-methylthiazol-2-yl)thiomethyl)-3-cephem-4-carboxylic acid;Cefodizime; |
| EINECS: | 1592732-453-0 |
| Density: | 1.869 g/cm3 |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-42/43 |
| Safety: | 22-26-36/37/39 |
| PSA: | 304.48000 |
| LogP: | 1.90870 |
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Specification
The Cefodizime, with the CAS registry number 69739-16-8, is also known as 7-(α-(Z)-Methoxyimino-α-(2-aminothiazol-4-yl)acetamido)-3-((5-carboxymethyl-4-methylthiazol-2-yl)thiomethyl)-3-cephem-4-carboxylic acid. It belongs to the product category of Pharmaceutical intermediate. This chemical's molecular formula is C20H20N6O7S4 and molecular weight is 584.67. What's more, its systematic name is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. Its classification codes are: (1)Anti-Bacterial Agents; (2)Anti-Infective Agents; (3)Antibiotics. This chemical is a cephalosporin. It is used as antibiotics to cure pneumonia, acute and chronic bronchitis caused by the pneumococcus and streptococcus.
Physical properties of Cefodizime are: (1)ACD/LogP: 0.524; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.70; (4)ACD/LogD (pH 7.4): -4.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 304.48 Å2; (13)Index of Refraction: 1.852; (14)Molar Refractivity: 139.985 cm3; (15)Molar Volume: 312.842 cm3; (16)Polarizability: 55.495×10-24cm3; (17)Surface Tension: 90.1 dyne/cm; (18)Density: 1.869 g/cm3.
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. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)/c3nc(sc3)N)CSc4nc(c(s4)CC(=O)O)C)C(=O)O
(2)Std. InChI: InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
(3)Std. InChIKey: XDZKBRJLTGRPSS-BGZQYGJUSA-N