AG00IA19

562-10-7 | Butanedioic acid, compd. withN,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1)OTHER CA INDEX NAMES:Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-,butanedioate (1:1)

AG00IA19

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CAS Number	562-10-7
Catalog Number	AG00IA19(AGN-PC-0SKZQB)
Chemical Name	Butanedioic acid, compd. withN,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1)OTHER CA INDEX NAMES:Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-,butanedioate (1:1)
EC Number	209-228-7
IUPAC Name	butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
InChI	InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
InChI Key	KBAUFVUYFNWQFM-UHFFFAOYSA-N
MDL Number	MFCD00056168
Molecular Formula	C21H28N2O5
Molecular Weight	388.4574
SMILES	O=C(O)CCC(O)=O.CC(C1=NC=CC=C1)(C2=CC=CC=C2)OCCN(C)C
Synonyms	doxylamine succinate, Doxylamine succinate, 562-10-7, Decapryn, Doxylamine (succinate), Evigoa D, A-H Injection, Decapryn Succinate, Doxylamine succinate salt, Unisom, Alsadorm, Gittalun, Mereprine, Sedaplus, Doxy-sleep-aid, Doxylamine succinate (1:1), Hoggar N, Decapryn succinate (1:1), Doxylamine hydrogen succinate, CCRIS 4811, EINECS 209-228-7, MFCD00056168, NSC 74772, Doxylamine succinate [USP], AI3-23993, MLS000028417, 2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate (1:1), CHEBI:82461, Dimethylaminoethoxy-methyl-benzyl-pyridine succinate, 2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate, SMR000058436, Decapryn (TN), DSSTox_CID_552, Phenyl2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether succinate, 2-(alpha-(2-Dimethylaminoethoxy)-alpha-methylbenzyl)pyridine succinate, 2-(alpha(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine succinate (1:1), Doxylamine succinate (USP), alpha-(2-Dimethylaminoethoxy)-alpha-methyl-alpha-phenyl-2-picoline acid succinate, Butanedioic acid, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1), Butanedioic acid, compd. with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1), DSSTox_RID_75656, DSSTox_GSID_20552, C21H28N2O5, N,N-dimethyl-2-(1-phenyl-1-(pyridin-2-yl)ethoxy)ethanamine succinate, N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine succinate, N,N-Dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethenamine succinate, Topcare sleep aid, Ethanamine, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)-, butanedioate (1:1), Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-, succinate (1:1), SR-01000003036, EQUALINE SLEEP AID, Doxylamine succinate liquid, Decarpyn succinate (1:1), Safetussin, N,N-dimethyl-2-[1-phenyl-1-pyridin-2-ylethoxy]ethanamine succinate, butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine, C17H22N2O.C4H6O4, NCGC00017028-02, doxylamine-succinate, CAS-562-10-7, Prestwick_887, Opera_ID_566, doxylamine; succinic acid, AC1L1WW1, AC1Q5VR4, Doxylamine succinate, 98%, Pyridine, succinate (1:1), MLS000758288, MLS001076141, MLS001424137, MLS002222274, SCHEMBL160443, SPECTRUM1500267, CHEMBL1200392, DTXSID7020552, HMS502K03, HMS1568E15, HMS1920K04, HMS2051F14, HMS2091B09, HMS2095E15, HMS2231G05, HMS3261E17, HMS3370K04, HMS3393F14, HMS3652H19, HMS3712E15, Pharmakon1600-01500267, BCP24067, HY-A0069, NSC74772, Tox21_113515, Tox21_202078, Tox21_302861, Tox21_500348, BG0679, CCG-38929, NSC-74772, NSC756752, s4240, AKOS025310916, Tox21_113515_1, AC-4487, API0002494, CCG-101033, CS-3232, LP00348, LS-1380, NC00283, NSC-756752, NCGC00016140-02, NCGC00016140-03, NCGC00016140-04, NCGC00021147-11, NCGC00089789-03, NCGC00093785-01, NCGC00093785-02, NCGC00093785-03, NCGC00256517-01, NCGC00259627-01, NCGC00261033-01, AN-11902, AS-13661, BC678008, CPD000058436, Q835, SAM001247030, ACM1216840946, AB0017830, AK00094036, EU-0100348, FT-0082833, FT-0625595, SW197008-4, WLN: T6NJ BX1&R&O2N1&1 &OV2VO, C19414, D 3775, D-9200, D02327, J10070, SR-01000003036-2, SR-01000003036-6, SR-01000003036-9, (Dimethylamino)ethoxy-methyl-benzyl-pyridine succinate, F2173-1155, [[[(2-Dimethylamino)ethoxy]phenyl]methyl]-2-picoline succinate, 2-[a-[2-(Dimethylamino)ethoxy]-a-methylbenzyl]pyridine succinate, Doxylamine Hydrogen Succinate 1.0 mg/ml in Methanol (as free base), butanedioic acid,N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine, butanedioic acid; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine, Doxylamine succinate, United States Pharmacopeia (USP) Reference Standard, n,n-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine butanedioate, N,N-dimethyl-2-[1-phenyl-1-(2-pyridyl)ethoxy]ethanamine; succinic acid, Phenyl2-pyridylmethyl-(.beta.-N,N-dimethylamino)ethyl ether succinate, 2-[[.alpha.-(2-Dimethylamino)ethoxy]-.alpha.-methylbenzyl]pyridine succinate, Butanedioic acid,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1), Doxylamine for system suitability, European Pharmacopoeia (EP) Reference Standard, Doxylamine hydrogen succinate, European Pharmacopoeia (EP) Reference Standard, Doxylamine Succinate, Pharmaceutical Secondary Standard; Certified Reference Material, Butanedioic acid, compd. withN,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1)OTHER CA INDEX NAMES:Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-,butanedioate (1:1), Doxylamine succinate solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, Succinic acid, compd. with 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine (1:1), Succinic acid, compd. with 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine (1:1) (8CI), Succinic acid, compd. with 2-[.alpha.-[2-(dimethylamino)ethoxy]-.alpha.-methylbenzyl]pyridine (1:1), Bendectin, Mixture Name, Doxylamine-d5 Succinate, UNII-V9BI9B5YI2, Contac Nighttime Cold Medicine, V9BI9B5YI2, CID11224, Doxylamine succinate, 98% - 1G 1g, C17-H22-N2-O.C4-H6-O4, C035385, 1216840-94-6, Butanedioic acid, compd. with N,N-dimethyl-2-[1-phenyl- 1-(2-pyridinyl)ethoxy]ethanamine (1:1), Butanedioic acid, compound with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1),

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	388.2g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	388.464g/mol
Monoisotopic Mass	388.2g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P280-P301+P312+P330
UN Code

Certificate of Analysis

Lot Number