Demeclocycline (calcium)

cas: 17146-81-5 — see every product listed under this CAS number, including other names

Demeclocycline (calcium) (CAS 17146-81-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brand	MedChemExpress
catalog number	HY-121268A-Get quote
cas	17146-81-5
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Calcium bis((6aR,10S,10aS,11aS,12S)-8-carbamoyl-1-chloro-10-(dimethylamino)-4,6a,7,12-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate) (CAS 17146-81-5) is a chemical compound with the molecular formula C42H40CaCl2N4O16 and a molecular weight of 967.8 g/mol. IUPAC name: calcium bis((6aR,10S,10aS,11aS,12S)-8-carbamoyl-1-chloro-10-(dimethylamino)-4,6a,7,12-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate). InChIKey: QQXQIPIVPIESBV-IQDXIELBSA-L.

Identity
Molecular formula	C₄₂H₄₀CaCl₂N₄O₁₆
Molecular weight	967.8 g/mol
IUPAC name	calcium bis((6aR,10S,10aS,11aS,12S)-8-carbamoyl-1-chloro-10-(dimethylamino)-4,6a,7,12-tetrahydroxy-6,9-dioxo-10a,11,11a,12-tetrahydro-10H-tetracen-5-olate)
InChIKey	QQXQIPIVPIESBV-IQDXIELBSA-L
SMILES	CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)[O-])O)Cl)O.CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)[O-])O)Cl)O.[Ca+2]