Urapidil hydrochloride

C₂₀H₃₀ClN₅O₃CAS 64887-14-5423.94 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₀H₃₀ClN₅O₃
Molar mass: 423.94 g/mol
Exact mass: 423.2037 Da
logP: 1.14Crippen estimate
Polar surface area: 71.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 7

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

64887-14-5

SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl

InChIKey

KTMLZVUAXJERAT-UHFFFAOYSA-N

InChI

InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H

Weigh it out

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

Work with Urapidil 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.

Urapidil34661-75-1Free base

Similar compounds

1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride21279-77-653 % similar Nifekalant hydrochloride130656-51-847 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-847 % similar 6-[(3-Chloropropyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione34654-81-446 % similar Fluanisone1480-19-946 % similar Nifekalant130636-43-043 % similar 1-(2-Methoxyphenyl)piperazine35386-24-442 % similar 1-(2-Methoxyphenyl)piperazine hydrobromide100939-96-640 % similar

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

Elsewhere

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