Palmatine chloride

C₂₁H₂₂ClNO₄CAS 10605-02-4387.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₂ClNO₄
Molar mass: 387.86 g/mol
Exact mass: 387.1237 Da
logP: 0.39Crippen estimate
Polar surface area: 40.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

10605-02-4

SMILES

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[Cl-]

InChIKey

RLQYRXCUPVKSAW-UHFFFAOYSA-M

InChI

InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,9-12H,7-8H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Work with Palmatine chloride

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

Palmatine3486-67-793 % similar Berberine hydrochloride633-65-888 % similar Berberine2086-83-182 % similar Columbamine3621-36-176 % similar Epiberberine6873-09-275 % similar Neutral berberine sulfate316-41-669 % similar Coptisine hydrochloride6020-18-467 % similar Berberine bisulfate633-66-967 % similar

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

Same formula

Dimethomorph110488-70-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook