AG003R22

84504-69-8 | Irsogladine maleate

AG003R22

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CAS Number	84504-69-8
Catalog Number	AG003R22(AGN-PC-0URYU1)
Chemical Name	Irsogladine maleate
IUPAC Name	(Z)-but-2-enedioic acid;6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
InChI	InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key	PJLVTVAIERNDEQ-BTJKTKAUSA-N
MDL Number	MFCD00873566
Molecular Formula	C13H11Cl2N5O4
Molecular Weight	372.1635
SMILES	ClC1=C(C2=NC(N)=NC(N)=N2)C=C(Cl)C=C1.OC(/C=C\C(O)=O)=O
UNII	66GVU60EPQ
Synonyms	2,4-diamino-6-(2,5-dichlorophenyl)-s-triazine maleate, 6-(2,5-dichlorophenyl)-2,4-diamino-1,3,5-triazine, DCPDAT, irsogladine, irsogladine maleate, MN 1695, MN-1695, irsogladine maleate, 84504-69-8, Gaslon, Irsogladine (maleate), Gaslon N, UNII-66GVU60EPQ, MN-1695, 66GVU60EPQ, 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate, 57381-28-9, 6-(2,5-DICHLOROPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE MALEATE, 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1), DSSTox_CID_20234, DSSTox_RID_79454, DSSTox_GSID_40234, s-Triazine, 2,4-diamino-6-(2,5-dichlorophenyl)-, maleate, Irsogladine HBr, CAS-84504-69-8, Irsogladine maleate [JAN], C9H7Cl2N5.C4H4O4, CCRIS 8107, Iosogladine maleate, NCGC00160397-01, Dicloguamine maleate, Gaslon N (TN), AC1NR02D, Irsogladine maleate (JP17), Dicloguamine maleate;MN1695, SCHEMBL440934, C13H11Cl2N5O4, CHEMBL1712923, DTXSID2040234, CHEBI:31721, HY-B0327A, HMS2051D03, HMS2230L23, HMS3269M05, HMS3677D15, HMS3714E21, Tox21_111786, ABP001088, MFCD00873566, AKOS015961793, Tox21_111786_1, AC-6801, AN-6538, CCG-100912, CS-2369, EBD2184906, HS-0056, NC00162, NCGC00160397-04, AT-15391, CPD000471621, SAM001246718, LS-155294, I0719, D01658, 504I698, A840825, I06-1591, SR-01000763269-4, 2,4-Diamino-6-(2,5-dichlorophenyl)-1,3,5-triazine Maleate, 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine; maleic acid, 6-(2,5-Dichlorophenyl)-1,3,5-triazine-2,4-diamine (2Z)-2-Butenedioate, 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (2Z)-but-2-enedioate, (Z)-2-butenedioic acid; 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine, (Z)-but-2-enedioic acid; 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine, 6-[2,5-bis(chloranyl)phenyl]-1,3,5-triazine-2,4-diamine; (Z)-but-2-enedioic acid, Irsogladine, Irsogiadine, MLS001401459, CID5282435, MN 1695, C9-H7-Cl2-N5.C4-H4-O4, SMR000471621, 6- -1,3,5-triazine-2,4-diaminemaleate, SR-01000763269, 57381-26-7,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	371.019g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	372.162g/mol
Monoisotopic Mass	371.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	165A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303
Packing Group
Precautionary statements	P312
UN Code

Certificate of Analysis

Lot Number