AG019IAD

Name: 2-chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one
Brand: Angene Chemical
SKU: AG019IAD

730949-62-9 | 2-chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one

Chemical structure of 2-chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one, CAS 730949-62-9

AG019IAD

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CAS Number	730949-62-9
Catalog Number	AG019IAD
Chemical Name	2-chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one
IUPAC Name	2-chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI	InChI=1S/C26H34ClNO5/c1-5-30-22-10-9-18(14-23(22)31-6-2)13-21-20-16-25(33-8-4)24(32-7-3)15-19(20)11-12-28(21)26(29)17-27/h9-10,14-16,21H,5-8,11-13,17H2,1-4H3
InChI Key	DMIXIQXPSOLPHG-UHFFFAOYSA-N
MDL Number	MFCD04621450
Molecular Formula	C26H34ClNO5
Molecular Weight	476.0049
SMILES	CCOC1=C(OCC)C=C(CC2C3=C(C=C(C(=C3)OCC)OCC)CCN2C(CCl)=O)C=C1
Synonyms	2-chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one, 730949-62-9, 2-Chloro-1-[1-(3,4-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone, AC1MWLCS, AC1Q37I1, CTK6G1155, STK993524, AKOS005658134, MCULE-7545584293, NE17403, UPCMLD0ENAT0519-7813:001, EN300-06156, 2-chloro-1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]ethanone, 2-chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, ZINC03277956, CID3801092,

Complexity	593
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	475.213g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	476.01g/mol
Monoisotopic Mass	475.213g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	5.2

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited