AG01EOQT

Name: S55746
Brand: Angene Chemical
SKU: AG01EOQT

1448584-12-0 | S55746

AG01EOQT

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CAS Number	1448584-12-0
Catalog Number	AG01EOQT(AGN-PC-3H46HO)
Chemical Name	S55746
IUPAC Name	N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
InChI	InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
InChI Key	VYXJULKGMXJVGI-XIFFEERXSA-N
MDL Number	MFCD31715456
Molecular Formula	C43H42N4O6
Molecular Weight	710.8168
SMILES	C1(C(N(C2=CC=C(O)C=C2)C2=CC=CC=C2)=O)=C2N(CCCC2)C(C2=C(C(N3[C@H](CN4CCOCC4)CC4=C(C3)C=CC=C4)=O)C=C3OCOC3=C2)=C1
Synonyms	s55746, 1448584-12-0, CHEMBL3958369, SCHEMBL16411762, US9120791, Example 1, US9120791, Example 38, BDBM177786, S55746 (Synonyms: BLC201), HY-117288, CS-0065115, F3Q, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide,

Complexity	1250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	710.31g/mol
Formal Charge	0
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	710.831g/mol
Monoisotopic Mass	710.31g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	96.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

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