AG00385D

131740-09-5 | Flavopiridol Hydrochloride

AG00385D

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CAS Number	131740-09-5
Catalog Number	AG00385D(AGN-PC-0PJJK3)
Chemical Name	Flavopiridol Hydrochloride
IUPAC Name	2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;hydrochloride
InChI	InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1
InChI Key	LGMSNQNWOCSPIK-LWHGMNCYSA-N
MDL Number	MFCD26792554
Molecular Formula	C21H21Cl2NO5
Molecular Weight	438.3011
SMILES	O=C1C=C(C2=CC=CC=C2Cl)OC3=C1C(O)=CC(O)=C3[C@@H]4[C@H](O)CN(C)CC4.[H]Cl
UNII	D48MS3A6N9
Synonyms	(-)cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one, alvocidib, flavopiridol, HMR 1275, L 868275, L-868275, L86-8275, Flavopiridol hydrochloride, 131740-09-5, Alvocidib hydrochloride, Flavopiridol HCl, Alvocidib HCl, Flavopiridol (Hydrochloride), UNII-D48MS3A6N9, HL 275, MDL 107826A, HL-275, NSC 649890, Flavopiridol (Alvocidib) HCl, D48MS3A6N9, HMR 1275, HMR-1275, Alvocidib hydrochloride [USAN], MDL-107826A, DSSTox_CID_28887, DSSTox_RID_83155, DSSTox_GSID_48961, Alvocidib hydrochloride (USAN), L 86 8275, L86-8275, (-)-2-(2-chlorophenyl)-5,7-dihydroxy-8-((3s,4r)-3-hydroxy-1-methyl-4-piperidinyl)-4h-1-benzopyran-4-one hydrochloride, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one hydrochloride, CAS-131740-09-5, Flavopiridol-hydrochloride, Alvocidib [USAN:INN:BAN], L-86-8275, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one hydrochloride, NCGC00014961-02, Flavopiridol (Alvocidib)hcl, CHEMBL2105698, DTXSID6048961, SCHEMBL14719291, CHEBI:90998, AOB1041, EX-A2058, Tox21_113396, MDL 107,826A, s2679, AKOS024457423, Tox21_113396_1, BCP9000688, CS-0306, RL01490, NCGC00250401-02, AC-26299, BC657796, HY-10006, SW219231-1, D02880, J-500011, Flavopiridol hydrochloride hydrate, >=98% (HPLC), powder, (3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium chloride, 2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-4H-1-benzopyran-4-one hydrochloride, Alvocidib, Flavopiridol, Alvocidib [USAN], Alvocidib [USAN:INN], C21H20ClNO5.ClH, C21-H20-Cl-N-O5.Cl-H, NSC 107826A, Alvocidib [USAN:INN] hydrochloride, CID9910986, L 86-8275, (-)-2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3s,4r)-3-hydroxy-1-methyl-4-piperidinyl]-4h-1-benzopyran-4-one hydrochloride, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methyl-4-piperidinyl)-, hydrochloride, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, hydrochloride, cis-(-)-,

Complexity	628
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	437.08g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	438.301g/mol
Monoisotopic Mass	437.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.2A^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