AG00DFAY

Name: Drotaveraldine
Brand: Angene Chemical
SKU: AG00DFAY

54088-62-9 | Drotaveraldine

AG00DFAY

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CAS Number	54088-62-9
Catalog Number	AG00DFAY(AGN-PC-0SGJUU)
Chemical Name	Drotaveraldine
IUPAC Name	(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-(3,4-diethoxyphenyl)methanone
InChI	InChI=1S/C24H29NO5/c1-5-27-19-10-9-17(14-20(19)28-6-2)24(26)23-18-15-22(30-8-4)21(29-7-3)13-16(18)11-12-25-23/h9-10,13-15H,5-8,11-12H2,1-4H3
InChI Key	GWEJBCQISYBHHZ-UHFFFAOYSA-N
MDL Number	MFCD18382311
Molecular Formula	C24H29NO5
Molecular Weight	411.4908
SMILES	C(C)OC=1C=C2CCN=C(C2=CC1OCC)C(=O)C1=CC(=C(C=C1)OCC)OCC
Synonyms	Drotaveraldine, 54088-62-9, STL454328, ZINC65740683, FT-0667807, 1-(3,4-diethoxybenzoyl)-6,7-diethoxy-3,4-dihydroisoquinoline, (6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)(3,4-diethoxyphenyl)methanone, Drotaveraldine Impurity, CS-CY-00075,

Complexity	580
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	411.205g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	411.498g/mol
Monoisotopic Mass	411.205g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited