AG008TDP

1204144-28-4 | (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione

AG008TDP

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CAS Number	1204144-28-4
Catalog Number	AG008TDP(AGN-PC-0WAL58)
Chemical Name	(5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione
IUPAC Name	(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
InChI	InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1
InChI Key	MCUJKPPARUPFJM-UWCCDQBKSA-N
MDL Number	MFCD25976757
Molecular Formula	C21H21N3O2S
Molecular Weight	379.4753
SMILES	O=C(NC/1=O)SC1=C/C2=C(N3C[C@H](N)CCC3)C(C4=CC=CC=C4)=CC=C2
UNII	S98NFM1378
Synonyms	5-((2-((3R)-3-aminopiperidin-1-yl)biphenyl-3-yl)methylidene)-1,3-thiazolidine-2,4-dione, AZD 1208., AZD-1208, AZD1208, AZD1208, 1204144-28-4, AZD-1208, UNII-S98NFM1378, (R,Z)-5-((2-(3-aminopiperidin-1-yl)-[1,1'-biphenyl]-3-yl)methylene)thiazolidine-2,4-dione, AZD 1208, CHEMBL2048872, S98NFM1378, GTPL7698, (5Z)-5-({2-[(3R)-3-Aminopiperidin-1-yl]-3-phenylphenyl}methylidene)-1,3-thiazolidine-2,4-dione, (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione, AK174910, SCHEMBL1580644, AOB87151, EX-A1804, 2236AH, BDBM50387298, MFCD25976757, s7104, ZINC84670255, AKOS025404917, CS-1668, AS-35166, BC600493, HY-15604, QC-11435, SW219766-1, A13203, (R,Z)-5-((2-(3-Aminopiperidin-1-yl)biphenyl-3-yl)methylene)thiazolidine-2,4-dione, (5Z)-5-[[2-[(3R)-3-Amino-1-piperidinyl][1,1'-biphenyl]-3-yl]methylene]-2,4-thiazolidinedione, D00IFR, C21H21N3O2S, MCUJKPPARUPFJM-UWCCDQBKSA-N, A3962,

Complexity	602
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	379.135g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	379.478g/mol
Monoisotopic Mass	379.135g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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