Oxytetracycline hemicalcium salt

calcium (4S,4aR,5S,6S,12aR)-2-carbamoyl-4-(dimethylamino)-5,6,10,12a-tetrahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-1,11-diolate

CAS: 15251-48-6

Molecular Formula	`C22H22CaN2O9`
Molecular Weight	498.5 g/mol
Topological Polar Surface Area	208.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	2
Exact Mass	498.09512
Heavy Atoms	34
Complexity	1000.0

Chemical Identifiers

CAS Number	15251-48-6
SMILES	`CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)[O-])C(=O)N)N(C)C)O)O.[Ca+2]`
InChIKey	`VNXGBFNHSOJJDT-MMNGPABASA-L`

📖 Product Overview

Oxytetracycline hemicalcium salt (CAS: 15251-48-6) is a chemical compound with molecular formula C22H22CaN2O9 and molecular weight 498.5 g/mol. Its IUPAC systematic name is calcium (4S,4aR,5S,6S,12aR)-2-carbamoyl-4-(dimethylamino)-5,6,10,12a-tetrahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-1,11-diolate. Topological Polar Surface Area 208.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 10 Rotatable Bonds 2 Exact Mass 498.09512 Heavy Atoms 34 Complexity 1000.0 InChI Key: VNXGBFNHSOJJDT-MMNGPABASA-L. SMILES: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)[O-])O)[O-])C(=O)N)N(C)C)O)O.[Ca+2].

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