AG01E51F

Name: Dimethyl 4-(3-(3-(3-(4-(3-methoxyphenyl)piperidin-1-yl)propyl)ureido)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (S)-2-hydroxypropanoate
Brand: Angene Chemical
SKU: AG01E51F

679839-66-8 | Dimethyl 4-(3-(3-(3-(4-(3-methoxyphenyl)piperidin-1-yl)propyl)ureido)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (S)-2-hydroxypropanoate

Chemical structure of Dimethyl 4-(3-(3-(3-(4-(3-methoxyphenyl)piperidin-1-yl)propyl)ureido)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (S)-2-hydroxypropanoate, CAS 679839-66-8

AG01E51F

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CAS Number	679839-66-8
Catalog Number	AG01E51F(AGN-PC-0TQR7K)
Chemical Name	Dimethyl 4-(3-(3-(3-(4-(3-methoxyphenyl)piperidin-1-yl)propyl)ureido)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (S)-2-hydroxypropanoate
IUPAC Name	dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;(2S)-2-hydroxypropanoic acid
InChI	InChI=1S/C33H42N4O6.C3H6O3/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3;1-2(4)3(5)6/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40);2,4H,1H3,(H,5,6)/t;2-/m.0/s1
InChI Key	BYHJIPSVXAFCDI-WNQIDUERSA-N
MDL Number	MFCD28783628
Molecular Formula	C36H48N4O9
Molecular Weight	680.7877
SMILES	O[C@H](C(=O)O)C.COC=1C=C(C=CC1)C1CCN(CC1)CCCNC(NC=1C=C(C=CC1)C1C(=C(NC(=C1C(=O)OC)C)C)C(=O)OC)=O
Synonyms	BMS 193885, BMS-193885, BMS193885, BMS 193885, 679839-66-8, BMS193885, AKOS024457502, 1,4-DIHYDRO-4-[3-[[[[3-[4-(3-METHOXYPHENYL)-1-PIPERIDINYL]PROPYL]AMINO]CARBONYL]AMINO]PHENYL]-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID 3,5-DIMETHYL ESTER L-LACTATE, J-011947, BYHJIPSVXAFCDI-WNQIDUERSA-N,

Complexity	1070
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	680.342g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	680.799g/mol
Monoisotopic Mass	680.342g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	176A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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