Gw 3965 hydrochloride

C₃₃H₃₂Cl₂F₃NO₃CAS 405911-17-3618.52 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₃₃H₃₂Cl₂F₃NO₃
Molar mass: 618.52 g/mol
Exact mass: 617.1711 Da
logP: 8.51Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 13

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

405911-17-3

SMILES

C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4.Cl

InChIKey

NMPUWJFHNOUNQU-UHFFFAOYSA-N

InChI

InChI=1S/C33H31ClF3NO3.ClH/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26;/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40);1H

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Names and synonyms

1 names

GW3965 hydrochloride

Work with Gw 3965 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

Similar compounds

Rgx-104 hcl610318-03-174 % similar 3-(Trifluoromethoxy)phenylacetic Acid203302-97-038 % similar 3-Phenoxyphenylacetic acid32852-81-638 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-037 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-936 % similar Roxatidine acetate hydrochloride93793-83-035 % similar (3-Methoxyphenyl)acetic acid1798-09-034 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-433 % similar

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

Elsewhere

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