chempirical

Vatalanib dihydrochloride

C20H17Cl3N4CAS 212141-51-0419.73 g/mol

Open in Covalent MOL file
NNHNClNHClHCl
Aryl halideSecondary amine

Properties

Molecular formula
C20H17Cl3N4
Molar mass
419.73 g/mol
Exact mass
418.0519 Da
logP
5.86Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

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
212141-51-0
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.Cl.Cl
InChIKey
AZUQEHCMDUSRLH-UHFFFAOYSA-N
InChI
InChI=1S/C20H15ClN4.2ClH/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H

Weigh it out

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Work with Vatalanib dihydrochloride

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.

Vatalanib212141-54-3Free base

Similar compounds

4-Chloropyridine hydrochloride7379-35-337 % similar Azelastine hydrochloride79307-93-036 % similar 4-Chloro-N-phenylaniline1205-71-636 % similar Telatinib332012-40-534 % similar 4-Benzylpyridine2116-65-633 % similar 2-(4'-Chlorobenzyl)pyridine4350-41-833 % similar (4-Chlorophenyl)phenylmethane831-81-233 % similar 4-(4-Pyridinyl)butyl chloride hydrochloride149463-65-032 % similar

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

Elsewhere

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