AG003TNJ

6724-53-4 | Perhexiline maleate salt

AG003TNJ

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CAS Number	6724-53-4
Catalog Number	AG003TNJ(AGN-PC-0WAFTP)
Chemical Name	Perhexiline maleate salt
EC Number	229-775-5
IUPAC Name	(Z)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidine
InChI	InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key	JDZOTSLZMQDFLG-BTJKTKAUSA-N
MDL Number	MFCD00057329
Molecular Formula	C23H39NO4
Molecular Weight	393.5601
NSC Number	758409
SMILES	C(=C\C(O)=O)\C(O)=O.C(CC1CCCCN1)(C2CCCCC2)C3CCCCC3
Synonyms	perhexiline maleate, Perhexiline maleate, 6724-53-4, Perhexiline maleate salt, Pexid, 2-(2,2-Dicyclohexylethyl)piperidine maleate, Perhexiline maleate [USAN], CCRIS 5491, C19H35N.C4H4O4, rac Perhexiline Maleate, EINECS 229-775-5, MLS000028601, MLS001077289, 2-(2,2-Dicyclohexylethyl)piperidine acid maleate, 2-(2,2-Dicyclohexylethyl)piperidine maleate (1:1), 2-(2,2-Dicyclohexylethyl)piperidinium hydrogen maleate, Piperidine, 2-(2,2-dicyclohexylethyl)-, maleate (1:1), NCGC00095025-01, SMR000058713, DSSTox_CID_1114, Piperidine, 2-(2,2-dicyclohexylethyl)-, (Z)-2-butenedioate (1:1), Perhexiline maleate (USAN), DSSTox_RID_75947, DSSTox_GSID_21114, 2-(2,2-dicyclohexylethyl)piperidine (2Z)-but-2-enedioate, SMR000653478, SR-01000000246, 2-(2,2-DICYCLOHEXYLETHYL)PIPERIDINE 2-BUTENEDIOATE, Pexsid, Pexsig, 2-[2,2-DICYCLOHEXYLETHYL]PIPERIDINE MALEATE SALT, Prestwick_636, Opera_ID_1791, PERHEXILLINE MALEATE, CAS-6724-53-4, AC1NR4G7, MLS006010628, SCHEMBL123149, SPECTRUM1503227, CHEMBL1334033, DTXSID1021114, HMS501L04, HY-B1334A, AOB5092, REGID_for_CID_5284439, HMS1568J14, HMS1922K11, HMS2092P06, HMS2095J14, HMS2231C20, HMS2231N03, HMS3712J14, Pharmakon1600-01503227, Tox21_111395, CCG-39317, MFCD00057329, NSC758409, AKOS024285312, Tox21_111395_1, CS-7871, NSC-758409, NCGC00018261-06, NCGC00095025-02, NCGC00095025-03, NCGC00095025-04, ST083072, Perhexiline maleate salt, >=98% (HPLC), LS-114986, X4611, VU0239842-5, D05442, (+/-)-2-(2,2-Dicyclohexylethyl)piperidine Maleate, SR-01000000246-2, SR-01000000246-4, (Z)-but-2-enedioic acid; 2-(2,2-dicyclohexylethyl)piperidine, 2-(2,2-dicyclohexylethyl)piperidine, (2Z)but-2-enedioic acid, Piperidine, 2-(2,2-dicyclohexylethyl)-, 2-butenedioate (1:1), PERHEXILINE, UNII-K7V8Y90G0H, PERHEXILINEMALEATESALT, K7V8Y90G0H, 2-(2,2-Dicyclohexylethyl)piperidine, CID5284439, C19-H35-N.C4-H4-O4, C023470,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	393.288g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	393.568g/mol
Monoisotopic Mass	393.288g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number