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C₂₁H₂₈N₂O₅CAS 562-10-7388.46 g/mol

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Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₈N₂O₅
Molar mass: 388.46 g/mol
Exact mass: 388.1998 Da
Melting point: 100–104 °C
Water solubility: ≥ 100 g/L (22.2 °C)
logP: 2.86Crippen estimate
Polar surface area: 100.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed98.9% of notifiers
H312 Harmful in contact with skin86.4% of notifiers
H332 Harmful if inhaled86.4% of notifiers

Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

562-10-7

SMILES

CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O

InChIKey

KBAUFVUYFNWQFM-UHFFFAOYSA-N

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)

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Names and synonyms

21 names · show all

Meraprina
Butanedioic acid, compd. with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1)
Succinic acid, compd. with 2-[α-[2-(dimethylamino)ethoxy]-α-methylbenzyl]pyridine (1:1)
Pyridine, 2-[α-[2-(dimethylamino)ethoxy]-α-methylbenzyl]-, succinate (1:1)
Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-, butanedioate (1:1)
Decapryn succinate (1:1)
2-[α-(2-Dimethylaminoethoxy)-α-methylbenzyl]pyridine succinate (1:1)
Decapryn
Unisom
Hoggar N
Decapryn succinate
Alsodorm
Gittalun
Sedaplus
2-[α-(2-Dimethylaminoethoxy)-α-methylbenzyl]pyridine succinate
Decamium
Doxised
Mereprine
NSC 74772
Donormyl
Dormidina

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Succinic acid110-15-6Free acid 1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine-succinic acid copolymer70198-29-7Salt Sumatriptan succinate103628-48-4Salt Loxapine succinate27833-64-3Salt Metoprolol succinate98418-47-4Salt Diammonium succinate2226-88-2Salt Disodium succinate150-90-3Salt Mexidol127464-43-1Salt Solifenacin succinate242478-38-2Salt 1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)183388-64-9Salt Lasmiditan succinate439239-92-6Salt Sodium succinate hexahydrate6106-21-4Salt

Similar compounds

3-(Pyridin-2-yl)propanoic acid15197-75-841 % similar Diphenhydramine citrate88637-37-039 % similar Pheniramine maleate132-20-737 % similar Disopyramide3737-09-537 % similar 3-Phenoxypropionic acid7170-38-937 % similar Phenyltoloxamine citrate1176-08-536 % similar Toremifene citrate89778-27-836 % similar 4-Phenoxybutyric acid6303-58-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ramiprilat87269-97-4

Elsewhere

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