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AG00G54R

802918-57-6 | Silybin

AG00G54R

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CAS Number	802918-57-6
Catalog Number	AG00G54R(AGN-PC-0WBMRE)
Chemical Name	Silybin
IUPAC Name	(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
InChI	InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1
InChI Key	SEBFKMXJBCUCAI-DBMPWETRSA-N
MDL Number	MFCD00872186
Molecular Formula	C25H22O10
Molecular Weight	482.4362
SMILES	O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C1=CC2=C(OC(C(O2)C2=CC(=C(C=C2)O)OC)CO)C=C1
Synonyms	2,3 Dehydrosilybin, 2,3-dehydrosilybin, Alepa forte, Alepa-forte, Ardeyhepan, Cefasilymarin, durasilymarin, Hepa loges, Hepa Merz Sil, hepa-loges, Hepa-Merz Sil, HepaBesch, Hepar Pasc, Hepar-Pasc, Heparsyx, Heplant, Lagosa, legalon forte, silibin, silibinin, Silibinin A, Silibinin B, silybin, silybin A, silybin B, silybinin, Silybin A,B (mixture), Silybin, 802918-57-6, AC1MJ6JE, CHEMBL9509, SCHEMBL14270800, 36804-17-8, CCH0001060, S0508, (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-hydroxymethyl-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-1-benzopyran-4-one, (2R,3R)-2-[2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one, (2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one, 2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-6-(3,5,7-trihydroxy-4-oxobenzopyran-2-yl)benzodioxine, silibinin, CID3086637,

Complexity	750
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	482.121g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	482.441g/mol
Monoisotopic Mass	482.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	155A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited