73547-61-2
头孢他啶
Name
头孢他啶
pro_formula
C22 H21 N6 O7 S2 . Na
pro_molWeight
568.565
1Identification
【Name】
头孢他啶
【CAS】
73547-61-2
;72558-82-8
【MDL】
MFCD01940866
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H21 N6 O7 S2 . Na
【pro_molWeight】
568.565
【Inchi】
InChI=1S/C22H22N6O7S2.Na/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);/q;+1/p-1/b26-13+;/t14-,18-;/m1./s1
【InChIKey】
InChIKey=JEEWDSDYUSEQML-ITVNLQBNSA-M
【SMILES】
CC(C)(C(=O)[O-])O/N=C(\c1csc(n1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-].[Na+]
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:13
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
头孢他啶.cml
quick_release
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