Clomocycline

Clomocycline
Systematic (IUPAC) name
	(2Z,4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-{hydroxy[(hydroxymethyl)amino]methylidene}-6-methyl-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione
Identifiers
CAS Number	1181-54-0
ATC code	J01AA11 (WHO)
PubChem	CID: 5464321
DrugBank	DB00453
ChemSpider	16735748
UNII	YP0241BU76
KEGG	D06885
ChEMBL	CHEMBL2106071
Synonyms	(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
Chemical data
Formula	C23H25ClN2O9
Molecular mass	508.905 g/mol
	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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