CAS No.123766-80-3,CefquinoMe sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123766-80-3
Name:	CefquinoMe sulfate

Formula:	C₂₃H₂₆N₆O₉S₃
Molecular Weight:	626.68
Synonyms:	(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(5,6,7,8-tetrahydroquinolinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1);HR 111V sulfate;
Appearance:	white powder

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Specification

The Cefquinome sulphate, with the CAS registry number 123766-80-3, is also known as HR 111V sulfate. This chemical's molecular formula is C₂₃H₂₆N₆O₉S₃ and molecular weight is 626.68. What's more, its systematic name is (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(5,6,7,8-tetrahydroquinolinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sulfate (1:1) .

Physical properties of Cefquinome sulphate are: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 13; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 173.06 Å².

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)C[n+]4cccc5c4CCCC5)C([O-])=O.O=S(=O)(O)O
(2)InChI: InChI=1/C23H24N6O5S2.H2O4S/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28;1-5(2,3)4/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33);(H2,1,2,3,4)/b27-16-;/t17-,21-;/m1./s1
(3)InChIKey: KYOHRXSGUROPGY-OFNLCGNNBM