Rgx-104 hcl

C₃₄H₃₄Cl₂F₃NO₃CAS 610318-03-1632.55 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₃₄H₃₄Cl₂F₃NO₃
Molar mass: 632.55 g/mol
Exact mass: 631.1868 Da
logP: 8.90Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 13
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

610318-03-1

SMILES

C[C@H](CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChIKey

LCMIYQOJZLRHTO-GJFSDDNBSA-N

InChI

InChI=1S/C34H33ClF3NO3.ClH/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27;/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41);1H/t24-;/m1./s1

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Names and synonyms

1 names

Abequolixron hydrochloride

Work with Rgx-104 hcl

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

Gw 3965 hydrochloride405911-17-374 % similar 3-(Trifluoromethoxy)phenylacetic Acid203302-97-037 % similar 3-Phenoxyphenylacetic acid32852-81-636 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-035 % similar (3-Methoxyphenyl)acetic acid1798-09-034 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-934 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-432 % similar 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-132 % similar

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

Elsewhere

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