Dapoxetine hydrochloride

C₂₁H₂₄ClNOCAS 129938-20-1341.88 g/mol

Open in Covalent MOL file

Ether Tertiary amine

Properties

Molecular formula: C₂₁H₂₄ClNO
Molar mass: 341.88 g/mol
Exact mass: 341.1546 Da
logP: 5.33Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H319 Causes serious eye irritation93.2% of notifiers
H413 May cause long lasting harmful effects to aquatic life88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

129938-20-1

SMILES

CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.Cl

InChIKey

IHWDIQRWYNMKFM-BDQAORGHSA-N

InChI

InChI=1S/C21H23NO.ClH/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21;/h3-14,20H,15-16H2,1-2H3;1H/t20-;/m0./s1

Weigh it out

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

Work with Dapoxetine hydrochloride

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.

Dapoxetine119356-77-3Free base

Similar compounds

1-Ethoxynaphthalene5328-01-847 % similar (+)-Propranolol hydrochloride13071-11-941 % similar Propranolol hydrochloride318-98-941 % similar Propranolol hydrochloride3506-09-041 % similar (S)-Propranolol hydrochloride4199-10-441 % similar 2-((1-Naphthalenyloxy)methyl)oxirane2461-42-940 % similar (2-Amino-1-phenylethyl)dimethylamine6342-21-840 % similar Naftopidil dihydrochloride57149-08-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyproheptadine hydrochloride sesquihydrate41354-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook