CAS No.122841-12-7,Cefoselis sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122841-12-7
Name:	Cefoselis sulfate

Formula:	C₁₉H₂₄N₈O₁₀S₃
Molecular Weight:	620.64
Synonyms:	Winsef (TN);FK-037;(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[2-(2-hydroxyethyl)-3-imino-pyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sulfuric acid;(6R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[2-(2-hydroxyethyl)-3-imino-pyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sulfuric acid;RWJ-45914;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-, sulfate (salt) (1:1);FK 037;Winsef;
EINECS:	1533716-785-6
Boiling Point:	965.8 °C at 760 mmHg
Flash Point:	537.9 °C
PSA:	337.67000
LogP:	0.02710

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Specification

The Cefoselis sulfate is an organic compound with the formula C₁₉H₂₄N₈O₁₀S₃. The IUPAC name of this chemical is (6R,7R)-7-[[(2Z)-2-(2-amino-1, 3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sulfuric acid. With the CAS registry number 122841-12-7, it is also named as Winsef. The product's category is Cefoselis sulfate and its intermediates.

Physical properties about Cefoselis sulfate are: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 18; (3)#H bond donors: 8; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 334.29Å²; (6)Flash Point: 537.9 °C; (7)Enthalpy of Vaporization: 147.36 kJ/mol; (8)Boiling Point: 965.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3[C@@H](NC(=O)C(=N\OC)\c1csc(N)n1)[C@H]4SC\C(CN2/C=C\C(=N)N2CCO)=C(/N34)C(O)=O.OS(O)(=O)=O
(2)InChI: InChI=1/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12+;/t13-,17-;/m1./s1
(3)InChIKey: LZOLCSVRFKCSEM-VIPNVKMVBN
(4)Std. InChI: InChI=1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12+;/t13-,17-;/m1./s1
(5)Std. InChIKey: LZOLCSVRFKCSEM-VIPNVKMVSA-N