AG00HAQG

10592-13-9 | 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride,(4S,4aR,5S,5aR,6R,12aS)-

AG00HAQG

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CAS Number	10592-13-9
Catalog Number	AG00HAQG(AGN-PC-0OVDC0)
Chemical Name	2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride,(4S,4aR,5S,5aR,6R,12aS)-
IUPAC Name	(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
InChI	InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1
InChI Key	PTNZGHXUZDHMIQ-CVHRZJFOSA-N
MDL Number	MFCD17018844
Molecular Formula	C22H25ClN2O8
Molecular Weight	480.8955
SMILES	O=C(C1=C(O)[C@@H](N(C)C)[C@@]([C@@H](O)[C@@]4([H])C(C(C3=C(O)C=CC=C3[C@@H]4C)=O)=C2O)([H])[C@@]2(O)C1=O)N.[H]Cl
UNII	4182Z6T2ET
Synonyms	2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-, alpha 6 Deoxyoxytetracycline, alpha-6-Deoxyoxytetracycline, Atridox, BMY 28689, BMY-28689, BMY28689, BU 3839T, BU-3839T, BU3839T, Doryx, Doxycycline, Doxycycline Calcium, Doxycycline Calcium Salt (1:2), Doxycycline Chinoin, doxycycline hemiethanolate, doxycycline hyclate, Doxycycline Monohydrate, Doxycycline Monohydrochloride, 6 epimer, Doxycycline Monohydrochloride, 6-epimer, Doxycycline Monohydrochloride, Dihydrate, Doxycycline Phosphate (1:1), Doxycycline-Chinoin, Hydramycin, Oracea, Periostat, Vibra Tabs, Vibra-Tabs, Vibramycin, Vibramycin Novum, Vibravenos, Doxycycline hydrochloride, Doxycycline HCl, 10592-13-9, Doxylin, Doxycycline (hydrochloride), Doxigalumicina, Vibramycin, Hyclate, Idocyklin, Liomycin, Mespafin, Nivocilin, Roximycin, Samecin, Tanamicin, Tecacin, Ecodox, UNII-4182Z6T2ET, Doxycycline, Hyclate, Doxy-tablinen, Vibramycin hyclate, Doxycycline hyclate, Biocamycin, Midoxin, Novadox, Tetradox, Vibradox, Vibramycin hydrochloride, 4182Z6T2ET, Doxy-II, Hydramycin, RETENS, 24390-14-5, Doxycycline Hydrochloride [JAN], Deoxyoxytetracycline hydrochloride, EINECS 234-198-7, DSSTox_CID_25405, DSSTox_RID_80856, DSSTox_GSID_45405, Deoxy-5-hydroxytetracycline hydrochloride, CHEBI:652992, NSC633557, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-, Hyclate, SR-01000075844, Doxycycline, HCl, Vibramycin (TN), 100929-47-3, AC1NTTH2, 2-Naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride, NCGC00016693-01, CAS-10592-13-9, SCHEMBL40834, C22H25ClN2O8, SPECTRUM1500266, CHEMBL1256723, DTXSID1045405, HY-N0565A, RUYHIJHUVHIMIR-CVHRZJFOSA-N, HMS1920I20, Pharmakon1600-01500266, Tox21_110566, Tox21_500405, CCG-38949, MFCD03427564, NSC756751, AKOS015924649, Tox21_110566_1, CS-2632, KS-5254, LP00405, MCULE-8555113623, NSC-633557, NSC-756751, NCGC00161602-06, NCGC00261090-01, AC-12044, EU-0100405, C-0055, D 9891, D07877, J-000264, SR-01000075844-1, SR-01000075844-8, (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride, (4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)- 3,5,10,12,12a-pentahydroxy- 6-methyl- 1,11-dioxo- 1,4,4a,5,5a,6,11,12a-octahydrotetracene- 2-carboxamide hydrochloride hemiethanolate hemihydrate, 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride,(4S,4aR,5S,5aR,6R,12aS)-, Vibramycin, Vibra-tabs, Tetraclean, Acticlate, Dentista, Doxteric, Doxyprex, Monodoks, Periostat, Atridox, Soludox, Doryx, Vivox, Doxy-Lemmon, Doxychel Hyclate, Doxy 100, Doxycycline Hyclate [USAN], UNII-19XTS3T51U, C22H24N2O8.ClH, DOXY 200, alpha-6-Deoxy-5-hydroxytetracycline, Doxycycline hyclate [USAN:USP], Doxycycline hyclate (internal use), C22-H24-N2-O8.Cl-H, CID5388211, WC 2031, 6-Desoxy-5-hydroxytetracycline hydrochloride, CID11957523, C22H24N2O8.ClH.1/2C2H6O.H2O, alpha-6-Deoxy-5-hydroxytetracycline hydrochloride, Doxycycline hydrochloride hemiethanolate hemihydrate, C22-H24-N2-O8.Cl-H.1/2C2-H6-O.H2-O, 6-Deoxy-5-hydroxytetracycline hydrochloride hemihydrate, 2-naftacencarboxamida, 4-(dimetilamino)-1,4,4a,5,5a,6,11,12a-octahidro-3,5,10,12,12a-pentahidroxi-6-metil-1,11-dioxo-, clorhidrato (1:1), (4s,4ar,5s,5ar,6r,12as)-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a, 5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy -6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a, 5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy -6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-, compd. with ethanol (2:1), mono, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)-, compd. with ethanol (2:1), monohydrate, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.alpha.,12a.alpha.)]-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5.alpha.,5a.alpha.,6.alpha.,12a.alpha.)]-, compd. with ethanol (2:1), monohydrate, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha)]-, 2-Naphthacenecarboxamide, 4.beta.-(dimethylamino)-1,4,4a.beta.,5,5a.beta.,6,11,12a-octahydro-3,5.beta.,10,12,12a.beta.-pentahydroxy-6.beta.-methyl-1,11-dioxo-, monohydrochloride, compd. with ethyl alc. (2:1), monohydrate, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride, compound with ethyl alcohol (2:1), monohydrate, Ethanol, compd. with (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide,

Complexity	956
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	480.13g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	480.898g/mol
Monoisotopic Mass	480.13g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number