Noscapine

C22H23NO7CAS 128-62-1413.43 g/mol

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AcetalEsterEtherLactoneTertiary amine

Properties

Molecular formula
C22H23NO7
Molar mass
413.43 g/mol
Exact mass
413.1475 Da
Density
1.4 g/mL
Melting point
176 °C
logP
2.88Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 140 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
128-62-1
SMILES
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C
InChIKey
AKNNEGZIBPJZJG-MSOLQXFVSA-N
InChI
InChI=1S/C22H23NO7/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/t17-,18+/m1/s1

Weigh it out

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

Names and synonyms

35 names · show all
  • 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]-, (3S)-
  • Narcotine
  • 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)-, [S-(R*,S*)]-
  • 1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.
  • (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone
  • Narcosine
  • Nectadon
  • α-Narcotine
  • Longatin
  • Coscopin
  • Coscotabs
  • O-Methylnarcotoline
  • Narcotin
  • Opianine
  • Narkotin
  • Noscapin
  • Opianin
  • Nicolane
  • Narcompren
  • Noscapalin
  • Narcotussin
  • Opian
  • (-)-Narcotine
  • (-)-α-Narcotine
  • Longactin
  • l-α-Narcotine
  • L-α-Noscapine
  • Tusscapine
  • Terbenol
  • Vadebex
  • NSC 5366
  • Methoxyhydrastine
  • Nipaxon
  • Capval
  • Lyobex

Work with Noscapine

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.

Noscapine hydrochloride912-60-7Salt

Similar compounds

(-)-Hydrastine118-08-182 % similar Bicuculline485-49-471 % similar Dicentrine517-66-844 % similar (+)-Cepharanthine481-49-243 % similar Benzoylgomisin O130783-32-341 % similar Allocryptopine485-91-639 % similar Canadine522-97-438 % similar (+)-Isocorydine475-67-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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