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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 5-GUAIACOLSULFONATE

SMILES

COC1=C(O)C=C(C=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=YDPWIEPRBQMXQC-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;1-12-7-3-2-5(4-6(7)8)13(9,10)11/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

HIDE SMILES / InChI

Approval Year

Name Type Language
DOXYCYCLINE 5-GUAIACOLSULFONATE
Common Name English
Code System Code Type Description
PUBCHEM
71555368
Created by admin on Sat Dec 16 19:10:43 GMT 2023 , Edited by admin on Sat Dec 16 19:10:43 GMT 2023
PRIMARY
CAS
56608-93-6
Created by admin on Sat Dec 16 19:10:43 GMT 2023 , Edited by admin on Sat Dec 16 19:10:43 GMT 2023
PRIMARY
FDA UNII
TCM2489R27
Created by admin on Sat Dec 16 19:10:43 GMT 2023 , Edited by admin on Sat Dec 16 19:10:43 GMT 2023
PRIMARY