AG019FT5

57852-57-0 | Idarubicin hydrochloride

AG019FT5

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CAS Number	57852-57-0
Catalog Number	AG019FT5(AGN-PC-0365OY)
Chemical Name	Idarubicin hydrochloride
EC Number	260-990-7
IUPAC Name	(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
InChI	InChI=1S/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H/t10-,15-,16-,17-,21+,26-;/m0./s1
InChI Key	JVHPTYWUBOQMBP-RVFAQHLVSA-N
MDL Number	MFCD00897212
Molecular Formula	C26H28ClNO9
Molecular Weight	533.9548
SMILES	O=C1C2=C(O)C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@](O)(C(C)=O)C4)=C4C(O)=C2C(C5=C1C=CC=C5)=O.[H]Cl
UNII	5VV3MDU5IE
Synonyms	4 Demethoxydaunorubicin, 4 Desmethoxydaunorubicin, 4-Demethoxydaunorubicin, 4-Desmethoxydaunorubicin, Hydrochloride, Idarubicin, Idarubicin, Idarubicin Hydrochloride, IMI 30, IMI-30, IMI30, NSC 256439, NSC-256439, NSC256439, idarubicin hydrochloride, Idarubicin Hcl, 57852-57-0, Idamycin, Zavedos, Idarubicin (hydrochloride), UNII-5VV3MDU5IE, Idamycin PFS, 5VV3MDU5IE, CPD000466355, MLS001401448, IMI 30, IMI-30, 4-Demethoxydaunorubicin hydrochloride, DSSTox_CID_27775, DSSTox_RID_82550, DSSTox_GSID_47797, SMR000466355, EINECS 260-990-7, CAS-57852-57-0, NCGC00093976-03, Idarubicin hydrochloride PFS, SR-01000075934, Daunomycin, 4-demethoxy-, hydrochloride, Idamycin (TN), (1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside, hydrochloride, DMDR, Idarubicin hydrochlorid, Idarubicin hydrochloride [USAN:USP:INN], AC1LCS3T, SCHEMBL4838, C26H27NO9.HCl, MLS000759470, CHEMBL1200976, DTXSID0047797, CHEBI:31686, JVHPTYWUBOQMBP-RVFAQHLVSA-N, KUC110342C, (7S-cis)-9-Acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxynaphthacene-5,12-dione hydrochloride, 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxyhydrochloride, (7S-cis)-, EX-A1148, Tox21_111236, MFCD00866457, MFCD00897212, s1228, Idarubicin hydrochloride (JP17/USP), AKOS025402118, Tox21_111236_1, AC-5255, API0002971, CCG-100886, CS-1061, NC00136, NCGC00093976-08, HY-17381, SAM001246676, SC-25438, KSC-230-185-1, D01747, W-5198, 33820-EP2275420A1, 33820-EP2295055A2, 33820-EP2295416A2, 33820-EP2298748A2, 33820-EP2298764A1, 33820-EP2298765A1, 33820-EP2298768A1, 33820-EP2305642A2, 33820-EP2311453A1, 852I570, Q-101407, SR-01000075934-5, (7S,9S)-9-acetyl-7-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride, (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride, (7S-cis)-9-Acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione, (7S-cis)-9-Acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-5,12-naphthacenedione hydrochloride, IDARUBICIN, 4-Demethoxydaunorubicin, Idarubicinhydrochloride, C26H27NO9.ClH, C26-H27-N-O9.Cl-H, CID636362, Idarubicin hydrochloride [USAN:INN], ACN-036869, NSC 256439, A10465, (7S-cis)-9-acetyl-7-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxynaphthacene-5,12-dione hydrochloride, (8S,10S)-10-((2R,4S,5S,6S)-4-amino-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yloxy)-8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxytetracene-5,12-dione hydrochloride, 5,12-Naftacenediona, 9-acetil-7-[(3-amino-2,3,6-trideoxi alfa-L-lixo-hexopiranosil)] oxi-7,8,9,10-tetrahidro-6,9,11-trihidroxi-, clorhidrato (1:1), (7S, 9S)-, 5,12-Naphthacenedione, 9-acetyl-7-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, hydrochloride, (7S-cis)-, 58957-92-9,

Complexity	912
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	533.145g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	533.958g/mol
Monoisotopic Mass	533.145g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	177A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300-H351-H360
Packing Group	Ⅱ
Precautionary statements	P201-P280-P308+P313
UN Code	UN 2811

Certificate of Analysis

Lot Number