Basic Information | Post buying leads | Suppliers |
Name |
Calcium oxytetracycline |
EINECS | 230-540-4 |
CAS No. | 7179-50-2 | Density | N/A |
PSA | 208.50000 | LogP | 0.06020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H24N2O9.Ca | Boiling Point | 727.8°C at 760 mmHg |
Molecular Weight | 498.50 | Flash Point | 394°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,calcium salt (1:1) (8CI);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,calcium salt (1:1), [4S-(4a,4aa,5a,5aa,6b,12aa)]-;Oxytetracycline calcium; |
The cas register number of Calcium oxytetracycline is 7179-50-2. It also can be called as (4S-(4a,4aa,5a,5aa,6b,12aa))-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide Calcium Salt and the Systematic name about this chemical is calcium (5S,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-5,6,10a-trihydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate.
Physical properties about Calcium oxytetracycline are: (1)#H bond acceptors: 11; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 207.51Å2.
People can use the following data to convert to the molecule structure.
1.SMILES: [Ca+2].CN(C)[C@@H]3C(\[O-])=C(\C(N)=O)C(=O)[C@@]4(O)C(/O)=C2/C(=O)c1c(cccc1[O-])[C@@](C)(O)[C@H]2[C@H](O)[C@@H]34
2.InChI: InChI=1/C22H24N2O9.Ca/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;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1
3.InChIKey: QJHKFWPAQRFQBG-GXXCERMFBD
4.Std. InChI: InChI=1S/C22H24N2O9.Ca/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;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1