Palmatine chloride

C21H22ClNO4CAS 10605-02-4387.86 g/mol

Open in Covalent MOL file
ON+OOOCl−
Ether

Properties

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

Hazards

Warning
Irritant (GHS07)

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

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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

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.

Palmatine3486-67-7Cation

Similar compounds

Berberine hydrochloride633-65-888 % similar Berberine2086-83-182 % similar Columbamine3621-36-176 % similar Demethyleneberberine25459-91-075 % 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