OXYTETRACYCLINE CALCIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII C8MRZ07FDV
EPA CompTox DTXSID2034413
Parent Compound: OXYTETRACYCLINE

Structure

InChI Key KIPLYOUQVMMOHB-MXWBXKMOSA-L
Smiles CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.[Ca+2]
InChI
InChI=1S/2C22H24N2O9.Ca/c2*1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h2*4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;;+2/p-2/t2*12-,13-,14+,17+,21-,22+;/m11./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H46CaN4O18
Molecular Weight 958.94
AlogP -1.24
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 201.85
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR KEGG

Cross References

Resources Reference
ChEMBL CHEMBL3989568
FDA SRS C8MRZ07FDV
PubChem 54714250
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