DOXYCYCLINE 4-GUAIACOLSULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24N2O8.C7H8O5S
Molecular Weight	648.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOXYCYCLINE 4-GUAIACOLSULFONATE

Structure Search

SMILES

COC1=C(O)C=CC(=C1)S(O)(=O)=O.[H][C@@]23[C@@H](C)C4=C(C(O)=CC=C4)C(=O)C2=C(O)[C@]5(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]5([H])[C@H]3O

InChI

InChIKey=FDMODUJZMAVDCJ-CVHRZJFOSA-N

InChI=1S/C22H24N2O8.C7H8O5S/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-12-7-4-5(13(9,10)11)2-3-6(7)8/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);2-4,8H,1H3,(H,9,10,11)/t7-,10+,14+,15-,17-,22-;/m0./s1

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