AG002MBZ

23142-01-0 | Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

AG002MBZ

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CAS Number	23142-01-0
Catalog Number	AG002MBZ(AGN-PC-0QZKL5)
Chemical Name	Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
EC Number	245-449-5
IUPAC Name	2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI	InChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key	AKJDEXBCRLOVTH-UHFFFAOYSA-N
MDL Number	MFCD00055697
Molecular Formula	C26H39NO10
Molecular Weight	525.5886
NSC Number	757833
RTECS Number	GY3500000
SMILES	O=C(C1(C2=CC=CC=C2)CCCC1)OCCOCCN(CC)CC.O=C(CC(C(O)=O)(O)CC(O)=O)O
UNII	4SH0MFJ5HJ
Synonyms	2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate, carbetapentane, carbetapentane 1,5-napthalenedisulfonate (2:1), carbetapentane 2,6-napthalenedisulfonate (2:1), carbetapentane citrate, carbetapentane tannate, pentoxyverine, Carbetapentane citrate, Pentoxyverine citrate, 23142-01-0, Loucarbate, Pentoxiverine citrate, Carbetapentane citrate salt, Toclase, Toclase citrate, Carbetapentone citrate, Carbetapentane (citrate), UNII-4SH0MFJ5HJ, Carbetapentane citrate [NF], EINECS 245-449-5, 4SH0MFJ5HJ, MFCD00055697, 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate, 2-(2(Diethylamino)ethoxy)ethyl 1-phenyl-cyclopentanecarboxylate citrate (1:1), 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate dihydrogen citrate, Ethanol, 2-(2-(diethylamino)ethoxy)-, 1-phenylcyclopentanecarboxylate (ester) citrate, W-107426, 2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate (1:1), 1-Phenyl-cyclopentanecarboxylic acid 2-[2-(Diethylamino)ethoxy]ethyl ester citrate, 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate salt, Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, citrate (1:1), Diethyl(2-(2-((1-phenylcyclopentyl)formyloxy)ethoxy)ethyl)ammoniumdihydrogen 2-hydroxypropane-1,2,3-tricarboxylate, SR-01000075435, Atussil Citrate, Astomatop (TN), 2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate 2-hydroxypropane-1,2,3-tricarboxylate, Prestwick_748, Caretapentane Citrate, Lopac-C-4662, Pentoxyverine citrate,(S), AC1L3J2X, MLS000859895, MLS002207180, SCHEMBL160096, SPECTRUM1501129, Pentoxyverine citrate (JP17), AC1Q68D8, CHEMBL1256696, CHEBI:31352, CTK8F8456, HMS501B18, KS-00000XMF, DTXSID10177717, HMS1569M15, HMS1921H13, HMS2092F03, HMS2096M15, HMS2233B06, HMS3260P08, HMS3266A18, HMS3370A07, HMS3675M11, HMS3713M15, Pharmakon1600-01501129, pentoxyverine-carbetapentane-citrate, BCP13538, HY-B1055, Tox21_500313, BN0126, CCG-39029, NSC757833, AKOS015899622, AN-7038, CS-4577, LP00313, NSC-757833, NCGC00016128-01, NCGC00016128-02, NCGC00016128-03, NCGC00016128-04, NCGC00016128-05, NCGC00017090-01, NCGC00093760-01, NCGC00093760-02, NCGC00093760-03, NCGC00260998-01, AC-19682, AK115683, AS-35372, LS-57907, AX8119983, CAS-23142-01-0, EU-0100313, FT-0630493, ST24048885, C 4662, D01260, 077P236, A839013, C-23076, SR-01000075435-1, SR-01000075435-3, SR-01000075435-5, SR-01000075435-7, SR-01000075435-8, I14-11705, SR-01000075435-11, 1-Phenylcyclopentane-1-carboxylic Acid Diethylaminoethoxyethyl Ester Citrate, 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentane carboxylate citrate, 2-(Diethylaminoethoxy)ethyl 1-Phenyl-1-cyclopentanecarboxylate Citrate, citric acid; 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate, 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate, 2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate; 2-oxidanylpropane-1,2,3-tricarboxylic acid, 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, Pencal, Pentoxyverine, CARBETAPENTANECITRATE, MLS002222257, C20H31NO3.C6H8O7, CID90010, AR-1K9812, SMR000326757, C20-H31-N-O3.C6-H8-O7, B1811, 77-23-6, Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, citrate, 73644-58-3, Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate, Diethyl[2-[2-[(1-phenylcyclopentyl)formyloxy]ethoxy]ethyl]ammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate,

Complexity	583
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	525.257g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	525.595g/mol
Monoisotopic Mass	525.257g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	171A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number