CAS No.118443-89-3,Cefquinome sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118443-89-3
Name:	Cefquinome sulfate

Formula:	C₂₃H₂₆N₆O₉S₃
Molecular Weight:	626.68
Synonyms:	HR111V-sulfate;Quinolinium,1-[[7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-5,6,7,8-tetrahydro-,[6R-[6a,7b(Z)]]- (9CI);
EINECS:	800-041-1
Appearance:	White or almost white powder
PSA:	290.44000
LogP:	1.67630

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Specification

The IUPAC name of Cefquinome sulfate is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; sulfuric acid. With the CAS registry number 118443-89-3, it is also named as HR111V-sulfate. The product's categories are API; Cephalosporins Antibiotics. In addition, its molecular formula is C₂₃H₂₆N₆O₉S₃ and molecular weight is 626.68.

The other characteristics of Cefquinome sulfate can be summarized as: (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 Donor: 4; (10)H-Bond Acceptor: 12; (11)Rotatable Bond Count: 6; (12)Tautomer Count: 12; (13)Exact Mass: 626.092339; (14)MonoIsotopic Mass: 626.092339; (15)Topological Polar Surface Area: 290; (16)Heavy Atom Count: 41; (17)Complexity: 1050.

People can use the following data to convert to the molecule 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

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