AG008NJO

77-23-6 | 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

AG008NJO

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CAS Number	77-23-6
Catalog Number	AG008NJO(AGN-PC-0UBAD3)
Chemical Name	2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
EC Number	201-014-1
IUPAC Name	2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
InChI	InChI=1S/C20H31NO3/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/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
InChI Key	CFJMRBQWBDQYMK-UHFFFAOYSA-N
MDL Number	MFCD00209899
Molecular Formula	C20H31NO3
Molecular Weight	333.4650
SMILES	O=C(C1(C2=CC=CC=C2)CCCC1)OCCOCCN(CC)CC
UNII	32C726X12W
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, Pentoxyverine, 77-23-6, Pentoxyverin, Pentoxiverin, Atussil, Pentoxiverinum, Pentoxyverine [INN:BAN], Pentoxyverinum [INN-Latin], Pentoxiverina [INN-Spanish], U.C.B. 2543, UNII-32C726X12W, C20H31NO3, HSDB 3299, 1-Phenyl-1-cyclopentanecarboxylate, UCB 2543, EINECS 201-014-1, BRN 2299701, CHEMBL73234, 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate, 2-(Diethylaminoethoxy)ethyl 1-phenyl-1-cyclopentanecarboxylate, 2-(Diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate, 2-(2-(diethylamino)ethoxy)ethyl 1-phenylcyclopentanecarboxylate, 1-Phenylcyclopentane-1-carboxylic acid diethylaminoethoxyethyl ester, 32C726X12W, NCGC00024595-03, Sedotussin (TN), 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester, DSSTox_CID_2734, 1-Phenylcyclopentanecarboxylic acid,2-(2-(diethylamino)ethoxy)ethyl ester, Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethyl ester, Cyclopentanecarboxylic acid, 1-phenyl-, 2-(2-(diethylamino)ethoxy)ethylester, Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(diethylamino)ethoxy]ethyl ester, Ethanol, 2-(2-(diethylamino)ethoxy)-, 1-phenylcyclopentanecarboxylate (ester), DSSTox_RID_76706, DSSTox_GSID_22734, carbetapentane tannate, Pentoxiverina, Pentoxiverine, Pentoxyverinum, 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentane-1-carboxylate, 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate, CAS-77-23-6, 1-Phenylcyclopentanecarboxylic acid 2-[2-diethylaminoethoxy]ethyl ester, UNII-23K1F351T7, Ethanol, 2-[2-(diethylamino)ethoxy]-, 1-phenylcyclopentanecarboxylate (ester), Pentoxyverine (INN), Toclase (Salt/Mix), Tuclase (Salt/Mix), Spectrum_001366, Spectrum_001952, Tocris-0454, Sedotussin (Salt/Mix), AC1L1DYE, Prestwick0_000387, Prestwick1_000387, Prestwick2_000387, Prestwick3_000387, Spectrum2_001412, Spectrum3_000922, Spectrum4_001021, AC1Q2ZF3, Lopac0_000313, SCHEMBL67879, BSPBio_000573, KBioGR_001541, KBioSS_001846, KBioSS_002506, cid_90010, DivK1c_000356, SPBio_001484, SPBio_002494, BPBio1_000631, DTXSID9022734, BDBM94507, CHEBI:94484, CTK8F8455, KBio1_000356, KBio2_001846, KBio2_002498, KBio2_004414, KBio2_005066, KBio2_006982, KBio2_007634, KBio3_001924, CFJMRBQWBDQYMK-UHFFFAOYSA-N, NINDS_000356, 2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate, ZINC3830375, Tox21_110909, PDSP1_001673, PDSP2_001656, 1-phenylcyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, AKOS015918339, Tox21_110909_1, 23K1F351T7, API0007262, CCG-204408, DB11186, IDI1_000356, NCGC00024595-01, NCGC00024595-02, NCGC00024595-04, NCGC00024595-05, NCGC00024595-06, NCGC00024595-08, 1406-98-0, AJ-45757, AN-42059, K344, LS-57906, SBI-0050301.P003, AB00053602, FT-0603066, D08334, 24144-EP2295409A1, 24144-EP2314590A1, AB00053602_09, I14-7663, W-104325, BRD-K06181161-048-04-5, BRD-K06181161-048-07-8, 1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-, 2-(2-diethylaminoethyloxy)ethyl 1-phenylcyclopentane-1-carboxylate, 2-[2-(Diemthylamino)ethoxy]ethyl 1-phenylcyclopentanecarboxylate, 2-{[2-(diethylamino)ethyl]oxy}ethyl 1-phenylcyclopentanecarboxylate, 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, citric acid;1-phenylcyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester, 2-(2-Diethylaminoethoxy)ethyl 1-phenylcyclopentane-1-carboxylate; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-[2-(diethylamino)ethoxy]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, Carbetapentane citrate, Rynatuss, pentoxyverin-, Not Available, Pentoxyverine citrate, D09VBC, MLS002222257, CID2562, C20-H31-N-O3, SMR000326757, 4-09-00-02112 (Beilstein Handbook Reference), carbetapentane 1,5-napthalenedisulfonate (2:1), carbetapentane 2,6-napthalenedisulfonate (2:1), C018861, 23142-01-0, 1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate salt,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	333.23g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	333.472g/mol
Monoisotopic Mass	333.23g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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