AG0039UL

64-73-3 | 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride

AG0039UL

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CAS Number	64-73-3
Catalog Number	AG0039UL(AGN-PC-0TDPRK)
Chemical Name	7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
EC Number	200-592-2
IUPAC Name	(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
InChI	InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
InChI Key	OAPVUSSHCBRCOL-KBHRXELFSA-N
MDL Number	MFCD00149217
Molecular Formula	C21H22Cl2N2O8
Molecular Weight	501.3140
NSC Number	756708
SMILES	O=C(C1=C(O)[C@@](C(C(C(N)=O)=C(O)[C@H]2N(C)C)=O)(O)[C@@]2([H])C[C@]1([H])[C@@H]3O)C4=C3C(Cl)=CC=C4O.Cl
UNII	29O079NTYT
Synonyms	Declomycin, Demeclocycline, Demeclocycline Hydrochloride, Demeclocycline Monohydrochloride, Demeclocycline, 4-epimer, Demeclocycline, Calcium (1:1) Salt, Demeclocycline, Calcium (1:2) Salt, Demethylchlortetracycline, Hydrochloride, Demeclocycline, Lédermycine, Ledermycin, Monohydrochloride, Demeclocycline, DEMECLOCYCLINE HYDROCHLORIDE, 64-73-3, Demeclocycline HCL, Declomycin, Clortetrin, Detravis, Bioterciclin, Ledermicina, Ledermycine, Veraciclina, Demeplus, Detracin, 7-Chloro-6-demethyltetracycline hydrochloride, Declomycin hydrochloride, Elkamicina, Demeclocycline (hydrochloride), Demethylchlortetracycline hydrochloride, Ledermycin hydrochloride, 6-Demethyl-7-chlorotetracycline hydrochloride, UNII-29O079NTYT, Demethylchlorotetracycline hydrochloride, EINECS 200-592-2, MFCD00082371, Demeclocycline hydrochloride (internal use), MLS000028422, 29O079NTYT, CHEBI:59725, AK110703, SMR000058439, DSSTox_CID_25252, DSSTox_RID_80775, DSSTox_GSID_45252, 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride, (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride, (4S,4aS,5aS,6S,12aS)-, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-, SR-01000075825, Demetraciclina, Meciclin, demeclocycline-hci, Declomycin (TN), (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride, Prestwick_235, Demeclocycline hydrochloride [USP:BAN], AC1NQXVY, Demeclocycline hydrochloride [USAN:BAN], Opera_ID_242, AC1O7EUI, CAS-64-73-3, NCGC00016290-01, EC 200-592-2, C21H21ClN2O8.HCl, Demethylchlortetracycline HCl, SCHEMBL41286, MLS001076091, MLS001333687, Demethylchlortetracycline HCl;, SPECTRUM1500226, CHEMBL1200474, DTXSID0045252, HMS1570G08, HMS1920C20, Pharmakon1600-01500226, Demeclocycline hydrochloride (USP), EBD31499, REGID_for_CID_54686764, Tox21_110354, Tox21_500421, NSC756708, s4279, AKOS015965080, Tox21_110354_1, CCG-212562, CS-3073, LP00421, NSC-756708, KS-00000Q36, NCGC00162149-07, NCGC00261106-01, BC219571, CC-26332, HY-17560, LS-93856, EU-0100421, FT-0603113, ST24046427, Demethylchlortetracycline hydrochloride (JP17), D 6140, D00290, 064D733, C-22948, SR-01000075825-1, SR-01000075825-5, W-109265, Demeclocycline hydrochloride, >=90% (HPLC), powder, Demeclocycline hydrochloride, Antibiotic for Culture Media Use Only, Demeclocycline hydrochloride, European Pharmacopoeia (EP) Reference Standard, Demeclocycline for system suitability, EuropePharmacopoeia (EP) Reference Standard, Demeclocycline HCl, Pharmaceutical Secondary Standard; Certified Reference Material, Demeclocycline hydrochloride, United States Pharmacopeia (USP) Reference Standard, (2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride, (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride, [4S-(4|A,4a|A,5a|A,6|A,12a|A)]-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide Monohydrochloride, [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochloride, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride, Ledermycin, demeclocycline, Mexocine, Demeclociclina, Demeclocyclinum, Demetraclin, Novotriclina, Perciclina, Demeclor, Diuciclin, Sumaclina, Deganol, mono-HCl, DMCT (antibiotic), DMCT, DMCTC, Demethylchlortetracyclin, Demethylchlortetracycline, Demethylchlorotetracycline, Demethylchlortetracyclinum, 6-Demethylchlortetracycline, UNII-5R5W9ICI6O, 6-Demethylchlorotetracycline, Tri-demethylchlortetracycline, C21H21ClN2O8.ClH, Demeclocycline [USAN:BAN], Demeclocyclinum [INN-Latin], Demethylchlortetracycline base, C21H21ClN2O8, Demeclociclina [INN-Spanish], 6-Demetil-7-clorotetraciclina, 6-Demethyl-7-chlortetracycline, Chlortetracycline, 6-demethyl-, 6-Demethyl-7-chlorotetracycline, 7-Chloro-6-demethyltetracycline, Demeclocycline [USP:INN:BAN], HSDB 3051, C21-H21-Cl-N2-O8, EINECS 204-834-8, Tetracycline, 7-chloro-6-demethyl-, C21-H21-Cl-N2-O8.Cl-H, CID5281008, CID6602612, CS-O-00299, 6-Demetil-7-clorotetraciclina [Italian], RP 10192, Demeclocycline hydrochloride, 98% - 100MG 100mg, 127-33-3, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-, 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide,

Complexity	961
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	500.075g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	501.313g/mol
Monoisotopic Mass	500.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	182A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H350-H360
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number