Clomocycline

Clomocycline
Clinical data
Other names	(2Z,4S,4aS,5aS,6S,12aS)-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-2-[hydroxy-(hydroxymethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
ATC code	J01AA11 (WHO) ;
Identifiers
	IUPAC name (4S,4aS,5aS,6S,12aR)-7-Chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;
CAS Number	1181-54-0 ;
PubChem CID	54680675;
DrugBank	DB00453 ;
ChemSpider	16735748 ;
UNII	YP0241BU76;
KEGG	D06885 ;
ChEMBL	ChEMBL2106071 ;
CompTox Dashboard (EPA)	DTXSID80905089 ;
Chemical and physical data
Formula	C23H25ClN2O9
Molar mass	508.91 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Clc1c4c(c(O)cc1)C(\O)=C3\C(=O)[C@]2(O)C(=O)/C(C(=O)[C@@H](N(C)C)[C@@H]2C[C@@H]3[C@@]4(O)C)=C(\O)NCO;
	InChI InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8?,9-,16-,22-,23-/m0/s1 ; Key:GJGDLRSSCNAKGL-BJNNJSPUSA-N ;
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Clomocycline is a tetracycline antibiotic.

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