dicalcium(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-12a-hydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,5,10,11-tetrolate

dicalcium;(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-12a-hydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,5,10,11-tetrolate

CAS: 94088-85-4

Molecular Formula	`C22H20Ca2N2O8`
Molecular Weight	520.6 g/mol
Topological Polar Surface Area	193.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	2
Exact Mass	520.0471
Heavy Atoms	34
Complexity	956.0

Chemical Identifiers

CAS Number	94088-85-4
SMILES	`CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)[O-])C(=O)N)N(C)C)[O-].[Ca+2].[Ca+2]`
InChIKey	`ZIHZIEZHQRIBEL-QFWOMMJSSA-K`

📖 Product Overview

dicalcium(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-12a-hydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,5,10,11-tetrolate (CAS: 94088-85-4) is a chemical compound with molecular formula C22H20Ca2N2O8 and molecular weight 520.6 g/mol. Its IUPAC systematic name is dicalcium;(4S,4aR,5S,5aR,6R,12aR)-2-carbamoyl-4-(dimethylamino)-12a-hydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,5,10,11-tetrolate. Topological Polar Surface Area 193.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 2 Exact Mass 520.0471 Heavy Atoms 34 Complexity 956.0 InChI Key: ZIHZIEZHQRIBEL-QFWOMMJSSA-K. SMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)[O-])C(=O)N)N(C)C)[O-].[Ca+2].[Ca+2].

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Technical Blog Article

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