AG0037LS

56390-09-1 | 5,​12-​Naphthacenedione, 10-​[(3-​amino-​2,​3,​6-​trideoxy-​α-​L-​arabino-​hexopyranosyl)​oxy]​-​7,​8,​9,​10-​tetrahydro-​6,​8,​11-​trihydroxy-​8-​(2-​hydroxyacetyl)​-​1-​methoxy-​, hydrochloride (1:1)​, (8S,​10S)​-

AG0037LS

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CAS Number	56390-09-1
Catalog Number	AG0037LS(AGN-PC-00PO1K)
Chemical Name	5,​12-​Naphthacenedione, 10-​[(3-​amino-​2,​3,​6-​trideoxy-​α-​L-​arabino-​hexopyranosyl)​oxy]​-​7,​8,​9,​10-​tetrahydro-​6,​8,​11-​trihydroxy-​8-​(2-​hydroxyacetyl)​-​1-​methoxy-​, hydrochloride (1:1)​, (8S,​10S)​-
EC Number	260-145-2
IUPAC Name	(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
InChI	InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1
InChI Key	MWWSFMDVAYGXBV-FGBSZODSSA-N
MDL Number	MFCD00274554
Molecular Formula	C27H30ClNO11
Molecular Weight	579.9802
NSC Number	759195
SMILES	Cl.Oc1c2c([C@@H](O[C@H]3C[C@H](N)[C@H]([C@@H](O3)C)O)C[C@@](C2)(C(=O)CO)O)c(c2c1C(=O)c1c(C2=O)c(OC)ccc1)O
UNII	22966TX7J5
Synonyms	4' Epi Adriamycin, 4' Epi Doxorubicin, 4' Epi DXR, 4' Epiadriamycin, 4' Epidoxorubicin, 4'-Epi-Adriamycin, 4'-Epi-Doxorubicin, 4'-Epi-DXR, 4'-Epiadriamycin, 4'-Epidoxorubicin, Ellence, EPI cell, EPI-cell, EPIcell, Epilem, Epirubicin, Epirubicin Hydrochloride, Farmorubicin, Farmorubicina, Farmorubicine, Hydrochloride, Epirubicin, IMI 28, IMI-28, IMI28, NSC 256942, NSC-256942, NSC256942, Pharmorubicin, Epirubicin hydrochloride, Pharmorubicin, Ellence, Epirubicin HCl, 56390-09-1, Farmorubicin, epirubicin (hydrochloride), Epidoxorubicin hydrochloride, 4'-Epidoxorubicin hydrochloride, CCRIS 4477, IMI-28, UNII-22966TX7J5, EINECS 260-145-2, MLS001401404, NSC 256942, Pidorubicin, 22966TX7J5, 4'-epi-Adriamycin hydrochloride, CPD000466308, SMR000466308, 4'-epi-Doxorubicin, (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside hydrochloride, Q-101406, 4'-epi-DX, Epirubitec, 4'-epi-Adriamycin, (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabinohexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-, Farmorubicina, Epirubicin Ebewe, (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride, Ellence (TN), Epirubicin hydrochloride [USAN:JAN], Epirubicin hydrochlorid, 4'-epidoxorubicin HCl, Epirubicin hydrochloride [USAN:USP:JAN], E-ADM, SCHEMBL3165, MLS000759412, 4-Epidoxorubicin hydrochloride, AC1L233G, BIFK0018, CHEMBL1200981, MWWSFMDVAYGXBV-FGBSZODSSA-N, Pharmakon1600-01505708, EX-A2654, Epirubicin HCl (4'-epidoxorubicin), HY-13624A, MFCD00941448, NSC759195, s1223, AKOS030526162, BCP9000651, CCG-100950, CS-1773, Epirubicin hydrochloride (JP17/USAN), NC00200, NSC-759195, BC208841, LS-93989, SAM001246559, Epirubicin hydrochloride, >=90% (HPLC), D02214, 33811-EP2275420A1, 33811-EP2295055A2, 33811-EP2295416A2, 33811-EP2298748A2, 33811-EP2298764A1, 33811-EP2298765A1, 33811-EP2305642A2, 33811-EP2311453A1, SR-01000763557, SR-01000763557-3, Epirubicin hydrochloride, British Pharmacopoeia (BP) Reference Standard, Epirubicin hydrochloride, European Pharmacopoeia (EP) Reference Standard, Epirubicin hydrochloride, United States Pharmacopeia (USP) Reference Standard, (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride, (8S,10S)-10-((2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, hydrochloride (1:1), (8S,10S)-, doxorubicin, Epidoxorubicin, Adriamycin, C27H29NO11.ClH, C27H29NO11, CID65348, C27-H29-N-O11.Cl-H, ACN-036868, A10345, Epirubicin hydrochloride, 98% - 100MG 100mg, 25316-40-9, (8S-cis)-10-[(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride, 5,12-Naftacenediona, 10-[(3-amino-2,3,6-trideoxi alfa-L-arabino-hexopiranosil)] oxi-7,8,9,10-tetrahidro-6, 8,11-trihidroxi-8-(2-hidroxiacetil)-1-metoxi-,clorhidrato (1:1), (8S, 10S)-, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, EPI,

Complexity	977
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	579.151g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	579.983g/mol
Monoisotopic Mass	579.151g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	206A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number