Desvenlafaxine succinate

C₂₀H₃₃NO₇CAS 386750-22-7399.48 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Phenol Tertiary amine

Properties

Molecular formula: C₂₀H₃₃NO₇
Molar mass: 399.48 g/mol
Exact mass: 399.2257 Da
logP: 1.84Crippen estimate
Polar surface area: 149.8 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed84% of notifiers
H319 Causes serious eye irritation12% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

386750-22-7

SMILES

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O

InChIKey

PWPDEXVGKDEKTE-UHFFFAOYSA-N

InChI

InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Desvenlafaxine succinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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 Desvenlafaxine93413-62-8Free base 1-(2-Hydroxyethyl)-2,2,6,6-tetramethyl-4-hydroxypiperidine-succinic acid copolymer70198-29-7Salt Donormil562-10-7Salt 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 Lasmiditan succinate439239-92-6Salt

Similar compounds

Venlafaxine93413-69-553 % similar Venlafaxine hydrochloride99300-78-450 % similar Diphenolic acid126-00-139 % similar 4-Hydroxybenzenebutanoic acid7021-11-638 % similar 4-Hydroxymandelic acid monohydrate184901-84-637 % similar Phloretic acid501-97-337 % similar (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid865233-35-835 % similar N-Succinyl-L-tyrosine374816-32-735 % similar

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

Elsewhere

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