AG00IAVV

6153-64-6 | 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-

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CAS Number	6153-64-6
Catalog Number	AG00IAVV(AGN-PC-0T0SF3)
Chemical Name	2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-
EC Number	612-168-8
IUPAC Name	(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;dihydrate
InChI	InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);2*1H2/t12-,13-,14+,17+,21-,22+;;/m1../s1
InChI Key	IMLJLCJZQLGHJS-JEKSYDDFSA-N
MDL Number	MFCD00003700
Molecular Formula	C22H28N2O11
Molecular Weight	496.4645
SMILES	O.O.CN([C@@H]1C(=C(C([C@]2(C(=C3C(C4=C(C=CC=C4[C@@]([C@H]3[C@@H]([C@@H]12)O)(C)O)O)=O)O)O)=O)C(=O)N)O)C
UNII	X20I9EN955
Synonyms	Bisolvomycin, Geomycin, Hydroxytetracycline, Oxyterracin, Oxyterracine, Oxytetracid, Oxytetracycline, Oxytetracycline Anhydrous, Oxytetracycline Calcium, Oxytetracycline Dihydrate, Oxytetracycline Hydrochloride, Oxytetracycline Monohydrochloride, Oxytetracycline Sulfate (2:1), Oxytetracycline, (4a beta,5 beta,5a beta,12a beta)-Isomer, Oxytetracycline, (5 beta)-Isomer, Oxytetracycline, Anhydrous, Oxytetracycline, Calcium (1:1) Salt, Oxytetracycline, Disodium Salt, Dihydrate, Oxytetracycline, Sodium Salt, Terramycin, Oxytetracycline dihydrate, 6153-64-6, OXTC, Oxytetracyclini dihydras, Hydroxytetrazyklindihydrat, Oxytetracyclinium dihydricum, UNII-X20I9EN955, CCRIS 9079, X20I9EN955, Terramycin (TN), Oxytetracycline base, DSSTox_CID_3412, DSSTox_RID_77015, DSSTox_GSID_23412, (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide dihydrate, Oxytetracycline dihydrate, 95%, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6beta,12aalpha))-, dihydrate, C22H24N2O9, 79-57-2 (ANHYDROUS), Neo-oxy 50/50, SR-01000003006, C22H24N2O9.2H2O, (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;dihydrate, Prestwick_630, CAS-6153-64-6, Terramycin Dihydrate, MFCD00151234, Oxytetracycline [USP:INN:BAN:JAN], Oxytetracycline [USAN:INN:BAN:JAN], Oxytetracycline hydrate, AC1NQZYS, oxytetracycline-dihydrate, OTC, SCHEMBL2898, CHEMBL1892210, DTXSID4023412, Oxytetracycline (JAN/USP/INN), HMS1568N16, HMS2095N16, HMS3712N16, Tox21_111711, Tox21_300679, s2052, AKOS025310865, API0009032, CCG-220307, NCGC00091268-03, NCGC00254587-01, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-, Q412, LS-176184, FT-0603687, D00205, 112702-EP2280007A1, 112702-EP2295437A1, 112702-EP2298775A1, SR-01000003006-6, (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate, (4S,4aR,5S,5aR,6S,12aS,Z)-2-(amino(hydroxy)methylene)-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione dihydrate, 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, (4S,4aR,5S,5aR,6S,12aS)-, oxytetracycline, Terramycin, Oxytetracyclin, Oxytetracyclinedihydrate, Oxytetracycline dehydrate, Oxytetracycline [BAN:INN:JAN], CID5282371, CS-O-02052, NCGC00159490-02, Oxytetracycline, disodium salt, dihydrate, C22-H24-N2-O9.2H2-O, B2001, Oxytetracycline dihydrate, 98% - 10G 10g, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide dihydrate, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, dihydrate, [4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,dihydrate, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-,dihydrate, [4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-, 79-57-2,

Complexity	1000
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	496.169g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	496.469g/mol
Monoisotopic Mass	496.169g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	204A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number