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Sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate

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Name

Sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate

EINECS N/A
CAS No. 115850-11-8 Density N/A
PSA 287.40000 LogP -0.30690
Solubility N/A Melting Point N/A
Formula C14H23N8NaO9S3 Boiling Point N/A
Molecular Weight 566.5654 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 115850-11-8 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-,sodium salt, hydrate (1:1:5), (6R,7R)-) Hazard Symbols N/A
Synonyms

sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate;Cefazolin sodiuM pentahydrate

 

Sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate Specification

The systematic name of Sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate is sodium (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrate (1:1:5). With the CAS registry number 115850-11-8, it is also named as Cefazolin sodium pentahydrate. In addition, its molecular formula is C14H23N8NaO9S3 and molecular weight is 566.5654.

The other characteristics of Sodium (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate can be summarized as: (1)Nominal mass: 566 Da; (2)Average mass: 566.5654 Da; (3)Monoisotopic mass: 566.064779 Da; (4)ACD/LogP: 1.13; (5)# of Rule of 5 Violations: 1; (6)#H bond acceptors: 12; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 226.14 Å2.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)Cn3nnnc3)CSc4nnc(s4)C)C([O-])=O.O.O.O.O.O
(2)InChI: InChI=1/C14H14N8O4S3.Na.5H2O/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;;;;;;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);;5*1H2/q;+1;;;;;/p-1/t9-,12-;;;;;;/m1....../s1
(3)InChIKey: KHQJKXHCWOHDQD-FISTWOBRBT
(4)Std. InChI: InChI=1S/C14H14N8O4S3.Na.5H2O/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;;;;;;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);;5*1H2/q;+1;;;;;/p-1/t9-,12-;;;;;;/m1....../s1
(5)Std. InChIKey: KHQJKXHCWOHDQD-HGUWTHONSA-M

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