chempirical

Noscapine hydrochloride

C22H24ClNO7CAS 912-60-7449.88 g/mol

Open in Covalent MOL file
OOOOOOONHCl
AcetalEsterEtherLactoneTertiary amine

Properties

Molecular formula
C22H24ClNO7
Molar mass
449.88 g/mol
Exact mass
449.1241 Da
Melting point
190–191 °C
logP
3.30Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
912-60-7
SMILES
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C.Cl
InChIKey
MFLVZFXCSKVCSH-URBRKQAFSA-N
InChI
InChI=1S/C22H23NO7.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;/h5-6,9,17-18H,7-8,10H2,1-4H3;1H/t17-,18+;/m1./s1

Weigh it out

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

Names and synonyms

7 names
  • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-
  • Narcotine, hydrochloride
  • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, hydrochloride, [S-(R*,S*)]-
  • 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride, (3S)-
  • 1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.
  • l-Narcotine hydrochloride
  • Opianine hydrochloride

Work with Noscapine 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

Noscapine128-62-195 % similar (-)-Hydrastine118-08-178 % similar Bicuculline485-49-468 % similar Dicentrine517-66-844 % similar (+)-Cepharanthine481-49-243 % similar Benzoylgomisin O130783-32-340 % similar Isocorydine hydrochloride13552-72-240 % similar Allocryptopine485-91-639 % similar

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

Elsewhere

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