Doxycycline calcium

• Catalog Number: ACM94088854
• Product Name: Doxycycline calcium
• CAS: 94088-85-4
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, calcium salt (1:2), (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-
• IUPAC Name: dicalcium (5R,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,10a,12-tetrolate
• Molecular Weight: 520.56
• Molecular Formula: C22H20Ca2N2O8
• Canonical SMILES: CC1C2C(C3C(C(=C(C(=O)C3(C(=C2C(=O)C4=C1C=CC=C4[O-])[O-])[O-])C(=O)N)[O-])N(C)C)O.[Ca+2].[Ca+2]
• InChI Key: PFWWMPJQWJGIAO-TWUUVKLJSA-L
• Boiling Point: 685.2ºC at 760mmHg
• Flash Point: 368.2ºC
• Density: g/cm³
• EC Number: 302-088-9
• Exact Mass: 520.04700
• H-Bond Acceptor: 10
• H-Bond Donor: 2
• Physical State: Solid

Custom Reviews

July 19, 2023

Work hard in drug research

The chemical structure of doxycycline calcium provides a structural basis for medical research on antibacterial activity.

Custom Q&A

What is the PubChem CID for doxycycline calcium?

The PubChem CID for doxycycline calcium is 54675779.

What is the molecular formula of doxycycline calcium?

The molecular formula of doxycycline calcium is C22H24N2O9.

What is the molecular weight of doxycycline calcium?

The molecular weight of doxycycline calcium is 460.4 g/mol.

What are some synonyms for doxycycline calcium?

Some synonyms for doxycycline calcium include oxytetracycline, Terramycin, and Oxyterracine.

What is the IUPAC name of doxycycline calcium?

The IUPAC name of doxycycline calcium is (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide.

What is the InChI of doxycycline calcium?

The InChI of doxycycline calcium is InChI=1S/C22H24N2O9/c1-21(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/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1.

What is the CAS number for doxycycline calcium?

The CAS number for doxycycline calcium is 79-57-2.

What is the ChEBI ID of doxycycline calcium?

The ChEBI ID of doxycycline calcium is CHEMBL1517.

What is the UNII for doxycycline calcium?

The UNII for doxycycline calcium is SLF0D9077S.

What is the KEGG ID for doxycycline calcium?

The KEGG ID for doxycycline calcium is C06624.