AG00IBB5

64-72-2 | 2-​Naphthacenecarboxami​de, 7-​chloro-​4-​(dimethylamino)​-​1,​4,​4a,​5,​5a,​6,​11,​12a-​octahydro-​3,​6,​10,​12,​12a-​pentahydroxy-​6-​methyl-​1,​11-​dioxo-​, hydrochloride (1:1)​, (4S,​4aS,​5aS,​6S,​12aS)​-

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CAS Number	64-72-2
Catalog Number	AG00IBB5(AGN-PC-0TDNKY)
Chemical Name	2-​Naphthacenecarboxami​de, 7-​chloro-​4-​(dimethylamino)​-​1,​4,​4a,​5,​5a,​6,​11,​12a-​octahydro-​3,​6,​10,​12,​12a-​pentahydroxy-​6-​methyl-​1,​11-​dioxo-​, hydrochloride (1:1)​, (4S,​4aS,​5aS,​6S,​12aS)​-
IUPAC Name	(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI	InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
InChI Key	QYAPHLRPFNSDNH-MRFRVZCGSA-N
MDL Number	MFCD00082440
Molecular Formula	C22H24Cl2N2O8
Molecular Weight	515.3406
SMILES	O[C@@]12[C@H]([C@H](N(C)C)C(=C(C2=O)C(=O)N)O)C[C@H]2C(=C1O)C(=O)c1c([C@@]2(C)O)c(Cl)ccc1O.Cl
UNII	O1GX33ON8R
Synonyms	4-Epimer Chlortetracycline, Aureocyclin, Aureomycin, Aureomycine, Biomycin, Bisulfate, Chlortetracycline, Calcium Salt Chlortetracycline, Chlorotetracycline, Chlortetracycline, Chlortetracycline Bisulfate, Chlortetracycline Hydrochloride, Chlortetracycline Monohydrochloride, Chlortetracycline Sulfate (1:1), Chlortetracycline Sulfate (2:1), Chlortetracycline, 4 Epimer, Chlortetracycline, 4-Epimer, Chlortetracycline, Calcium Salt, Hydrochloride, Chlortetracycline, Monohydrochloride, Chlortetracycline, Salt Chlortetracycline, Calcium, Chlortetracycline hydrochloride, Aureociclina, Chlorotetracycline hydrochloride, Aureocycline, Aureocarmyl, Auxeomycin, Clorocipan, 64-72-2, Aureomycin hydrochloride, B-Aureo, Tetra 5, CLTC, Biomycin hydrochloride, Biomitsin hydrochloride, Psittacin hydrochloride, Isphamycin, Fermycin Soluble, Aureomycin monohydrochloride, Aurofac 100, Aureovit 12C80, Chlortetracycline HCl, Chlortetracycline (hydrochloride), Chlortetracycline, monohydrochloride, UNII-O1GX33ON8R, 7-Chlorotetracycline monohydrochloride, NSC-13252, NSC13252, Chlortetracyclinium chloride, 7-Chlorotetracycline hydrochloride, EINECS 200-591-7, U-6780, Clorotetraciclina cloridrato [Italian], Tetracycline, 7-chloro-, hydrochloride, O1GX33ON8R, AI3-50126, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aS,5aS,6S,12aS)-, Aureomycin (TN), DSSTox_CID_25076, DSSTox_RID_80653, DSSTox_GSID_45076, 7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride, Pennchlor 64, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-, Clorotetraciclina cloridrato, Alexomycin, Chlortetracycline Monohydrochloride, CLTC 100 MR, SR-05000001588, (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride, chlortetracycline-hcl, Alexomycin [USAN], Chlortetracycline hydrochloride [USP:BAN], Chlortetracycline hydrochloride [USAN:BAN], CAS-64-72-2, NCGC00016289-01, AC1NR05A, AC1NS0N6, SCHEMBL3841, MLS001304009, MLS006011591, SPECTRUM1500186, C22H24Cl2N2O8, CHEMBL2146063, DTXSID2045076, KS-00000FWY, HMS1568M12, HMS1920M07, Pharmakon1600-01500186, HY-B1327, Tox21_110353, Tox21_301710, CCG-39737, NSC756691, AKOS015960769, CS-4853, DS-3304, MCULE-2208752804, NSC-756691, NCGC00256236-01, AC-12254, AN-23740, LS-93858, SMR000387083, SMR004703365, Chlortetracycline hydrochloride (JAN/USP), CTC, D02255, U-82127, SR-05000001588-2, Aureomycin hydrochloride;Chlortetracycline hydrochloride, WLN: L E6 C666 BV FV CU GUTTT&J DQ EQ GVZ HQ IN1&1 MQ M1 OG RQ &GH, (2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, 165101-50-8, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, 2-Naphthacenecarboxamide,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, 7-Chloro-4-dimethylamino-1,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacene-carboxamide, hydrochloride, AUREOMYCIN, Lymecycline, Tetracycline, Hydrochloride, C22H23ClN2O8.ClH, Chlortetracyclinehydrochloride, C22H23ClN2O8, UNII-SL2PE81977, SL2PE81977, MFCD26142699, C22-H23-Cl-N2-O8.Cl-H, CID5282486, CID5351481, CS-O-01146, B1699, Chlorotetracycline hydrochloride, 97% - 25G 25g, 2-naphthacencarboxamid, 7-chlor-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochlorid, [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino) -1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy -6-methyl-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-6-methyl-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-, 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [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-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)]-, 2-Naphthacenecarboxamide,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, 2-Naphthacenecarboxamide,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-,

Complexity	1010
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	514.091g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	515.34g/mol
Monoisotopic Mass	514.091g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number