AG003UNG

60-54-8 | (4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide

AG003UNG

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CAS Number	60-54-8
Catalog Number	AG003UNG(AGN-PC-0SWIN2)
Chemical Name	(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
EC Number	200-481-9
IUPAC Name	(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
InChI	InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
InChI Key	NWXMGUDVXFXRIG-WESIUVDSSA-N
MDL Number	MFCD00151232
Molecular Formula	C22H24N2O8
Molecular Weight	444.4346
SMILES	CN([C@@H]1C(=C(C([C@]2(C(=C3C(C4=C(C=CC=C4[C@@]([C@H]3C[C@@H]12)(C)O)O)=O)O)O)=O)C(=O)N)O)C
UNII	F8VB5M810T
Synonyms	4 Epitetracycline, 4-Epitetracycline, Achromycin, Achromycin V, Hostacyclin, Sustamycin, Tetrabid, Tetracycline, Tetracycline Hydrochloride, Tetracycline Monohydrochloride, Topicycline, tetracycline, Deschlorobiomycin, 60-54-8, Tetracyclinum, Tsiklomitsin, Tetracyclin, Tsiklomistsin, Sumycin, Abramycin, Tetraciclina, Achromycin, Tetrazyklin, Achromycin V, Ambramycin, Hostacyclin, Omegamycin, Tetradecin, Tetraverine, Vetacyclinum, Tetracyn, Tetrafil, Tetracycline base, Topicycline, Cefracycline, Criseociclina, Abricycline, Agromicina, Ambramicina, Biocycline, Ciclibion, Copharlan, Cyclopar, Democracin, Lexacycline, Limecycline, Mericycline, Micycline, Neocycline, Orlycycline, Panmycin, Polycycline, Polyotic, Purocyclina, Roviciclina, Solvocin, Tetrabon, Tetracycl, Amycin, Robitet, Veracin, SK-Tetracycline, Tetrachel, Tetracycline II, Tetra-Co, UNII-F8VB5M810T, Cyclomycin, Sumycin syrup, Tetracycline I, Bio-tetra, Piracaps (base), Centet (base), Polycycline (VAN), (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, Cefracycline suspension, Bristaciclina, Bristacycline, Enterocycline, Medocycline, Resteclin, Cytome, Liquamycin (Veterinary), Polycycline (antibiotic), F8VB5M810T, (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, CHEBI:27902, Tetracyclinum [INN-Latin], Tetracycline (internal use), Tetraciclina [INN-Spanish], Actisite, Tetramed, Tetrex, Retet, Vetquamycin-324 (free base), Dumocyclin, MFCD00151232, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-, TetraSURE, Achromycin (naphthacene derivative), Sigmamycin, Oletetrin, T-125, HSDB 3188, 6-Methyl-1,11-dioxy-2-naphthacenecarboxamide, Bristaciclin, EINECS 200-481-9, Sumycin (TN), 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-, 6416-04-2 (3H2O), Tetracycline (JAN/USP/INN), CCRIS 9483, SR-01000000212, NSC108579, Tetracycline [USP:INN:BAN:JAN], 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, 4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,1 0,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, Spectrum_001034, Tetracycline, EP grade, AC1L2YDF, AC1NQXT7, AC1NTUT2, Prestwick0_000140, Prestwick1_000140, Prestwick2_000140, Prestwick3_000140, Spectrum2_001329, Spectrum3_000565, Spectrum4_000352, Spectrum5_001112, DSSTox_CID_3645, EC 200-481-9, SCHEMBL3098, DSSTox_RID_77127, DSSTox_GSID_23645, BSPBio_000220, BSPBio_001950, KBioGR_000783, KBioSS_001514, DivK1c_000827, SCHEMBL537050, SPBio_001457, SPBio_002159, BPBio1_000242, SCHEMBL2116649, SCHEMBL2116661, DTXSID7023645, KBio1_000827, KBio2_001514, KBio2_004082, KBio2_006650, KBio3_001450, NINDS_000827, NWXMGUDVXFXRIG-WESIUVDSSA-N, OFVLGDICTFRJMM-WESIUVDSSA-N, HMS2090B04, Tetracycline, >=98.0% (NT), HY-A0107, RKL10088, Tetracycline, >=88.0% (HPLC), Tox21_300150, ZINC84441937, AKOS024277860, AKOS026749977, ZINC100303069, ZINC102229720, CS-8188, DB00759, MCULE-3752961261, CAS-60-54-8, IDI1_000827, NCGC00017323-03, NCGC00017323-04, NCGC00017323-05, NCGC00017323-07, NCGC00142507-02, NCGC00254063-01, CPD003601804, E701, SAM002554934, SC-81153, ST019403, SBI-0051530.P003, FT-0696567, 1369-EP2269978A2, 1369-EP2269985A2, 1369-EP2269991A2, 1369-EP2270008A1, 1369-EP2275420A1, 1369-EP2284150A2, 1369-EP2284151A2, 1369-EP2284152A2, 1369-EP2284153A2, 1369-EP2284155A2, 1369-EP2284156A2, 1369-EP2284164A2, 1369-EP2287140A2, 1369-EP2287148A2, 1369-EP2287150A2, 1369-EP2289871A1, 1369-EP2289891A2, 1369-EP2292088A1, 1369-EP2292590A2, 1369-EP2292612A2, 1369-EP2292617A1, 1369-EP2295402A2, 1369-EP2295419A2, 1369-EP2298732A1, 1369-EP2301534A1, 1369-EP2301912A2, 1369-EP2301913A1, 1369-EP2301914A1, 1369-EP2301916A2, 1369-EP2305637A2, 1369-EP2305640A2, 1369-EP2305662A1, 1369-EP2307027A1, 1369-EP2308832A1, 1369-EP2308863A1, 1369-EP2308883A1, 1369-EP2311451A1, 1369-EP2311796A1, 1369-EP2311797A1, 1369-EP2311798A1, 1369-EP2311799A1, 1369-EP2311822A1, 1369-EP2314583A1, 1369-EP2316450A1, 1369-EP2371797A1, 1369-EP2371798A1, 1369-EP2371800A1, 1369-EP2371804A1, C06570, D00201, AB00053550-04, AB00053550_05, AB00053550_06, SR-01000000212-3, Z2144222809, (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione, (4S,4aS,5aS,6S,12aS)-2-[Amino(hydroxy)methylene]-4beta-(dimethylamino)-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6alpha,10,12,12abeta-tetrahydroxy-6-methylnaphthacene-1,3,11-trione, (4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione, (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide, (4S,6S,12aS,4aS,5aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,1 1-dioxo-4,5,6,12a,4a,5a-hexahydronaphthacene-2-carboxamide, Liquamycin, Anhydrotetracycline, Tetracycline HCl, Tetracyclines, Sanclomycine, Sustamycin, Tetramycin, Talsutin, Tetrabid, tetracyclin-, delta-Iraldeine, Mysteclin-F, Bristaciclin alpha, Lemtrex (base), 4 Epitetracycline, 4-Epitetracycline, Terramycin (TN), (-)-Tetracycline, Panmycin (TN), Tetracyn (TN), Liquamycin, veterinary, Tetracycline Free Base, Polycycline, antibiotic, component of Tetrastatin, Tetracycline metaphosphate, Tetracycline Monohydrochloride, TETRACYCLINE HYDROCHLORIDE, D08NQZ, D0Z5PF, Tetracycline & VRC3375, CHEMBL1440, Tetracycline phosphate complex, MLS000069728, C22H24N2O8, Tetracycline [USAN:INN:BAN:JAN], Achromycin, naphthacene derivative, NSC 108579, CID79895, C22-H24-N2-O8, CID5280962, CID5388997, SMR000058220, methyl-1,11-dioxo-2-naphthacenecarboxamide, D013752, TAC, TC, (2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-, 64-75-5,

Complexity	971
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	444.153g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	444.44g/mol
Monoisotopic Mass	444.153g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	182A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H350-H360
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number