DOXYCYCLINE FOSFATEX

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2IQ26U2DZQ

Structure
InChI Key CJYQQUPRURWLOW-YDLUHMIOSA-M
Smile C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O=P(=O)O.O=P(=O)O.O=P(=O)O.O=P(=O)[O-].[Na+]
InChI
InChI=1S/C22H24N2O8.Na.4HO3P/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;;4*1-4(2)3/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;4*(H,1,2,3)/q;+1;;;;/p-1/t7-,10+,14+,15-,17-,22-;;;;;/m0...../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27N2NaO20P4
Molecular Weight 786.34
AlogP -0.35
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 181.62
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106418
FDA SRS 2IQ26U2DZQ
PubChem 76967880
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