Norverapamil hydrochloride

C26H37ClN2O4CAS 67812-42-4477.04 g/mol

Open in Covalent MOL file
NHOONOOHCl
EtherNitrileSecondary amine

Properties

Molecular formula
C26H37ClN2O4
Molar mass
477.04 g/mol
Exact mass
476.2442 Da
logP
5.17Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
13

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
67812-42-4
SMILES
CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
InChIKey
OEAFTRIDBHSJDC-UHFFFAOYSA-N
InChI
InChI=1S/C26H36N2O4.ClH/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5;/h8-11,16-17,19,28H,7,12-15H2,1-6H3;1H

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Work with Norverapamil 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

Verapamil hydrochloride152-11-470 % similar Verapamil hydrochloride23313-68-070 % similar Verapamil52-53-967 % similar Benzenepropanenitrile, α-amino-3,4-dimethoxy-α-methyl-, hydrochloride (1:1), (αS)-2544-13-042 % similar N-Methylhomoveratrylamine3490-06-041 % similar Bevantolol hydrochloride42864-78-838 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-638 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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