chempirical

Tubocurarine chloride anhydrous

C37H42Cl2N2O6CAS 57-94-3681.65 g/mol

Open in Covalent MOL file
OOHOOO−ONN+HClHCl
EtherPhenolQuaternary ammoniumTertiary amine

Properties

Molecular formula
C37H42Cl2N2O6
Molar mass
681.65 g/mol
Exact mass
680.2420 Da
Melting point
270 °C (decomposes)
logP
6.91Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57-94-3
SMILES
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c([O-])c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.Cl
InChIKey
GXFZCDMWGMFGFL-KKXMJGKMSA-N
InChI
InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28-,29+;;/m0../s1

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Names and synonyms

27 names · show all
  • Tubocurarine
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-, chloride, hydrochloride (1:1:1), (13aR,25aS)-
  • Tubocurarine, chloride, hydrochloride, (+)-
  • Tubocuraranium, 7′,12′-dihydroxy-6,6′-dimethoxy-2,2′,2′-trimethyl-, chloride, hydrochloride
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-, chloride, hydrochloride, (13aR,25aS)-
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, tubocuraranium deriv.
  • Amerizol
  • d-Paracurarine chloride
  • Tubarine
  • (+)-Tubocurarine chloride
  • d-Tubocurarine chloride
  • d-Tubocurarine dichloride
  • Delacurarine
  • Tubadil
  • Tubocurarine chloride
  • Dextrotubocurarine chloride
  • d-Tubocurarine hydrochloride
  • Tubocurarine hydrochloride
  • (+)-Tubocurarine hydrochloride
  • Intocostrine T
  • Amelizol
  • (+)-Tubocurarine dichloride
  • d-Tubocurarine
  • 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido[3′,2′:14,15][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-18,29-dimethoxy-1,14,14-trimethyl-, chloride, hydrochloride, [13aR-(13aR*,25aS*)]-
  • d-(+)-Tubocurarine chloride
  • Curarin HAF
  • Introcostrin

Work with Tubocurarine chloride anhydrous

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

(-)-Neferine2292-16-264 % similar Dauricine524-17-464 % similar Berbamine478-61-563 % similar (+)-Isoliensinine6817-41-062 % similar Daurisoline70553-76-361 % similar Liensinine2586-96-160 % similar Grisabutine31008-18-159 % similar Fangchinoline436-77-157 % similar

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

Same formula

16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2′,3′:17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-12-ol, 3,4,4a,5,16a,17,18,19-octahydro-21,22,26-trimethoxy-4,17-dimethyl-, hydrochloride (1:2), (4aS,16aR)-6078-17-7

Elsewhere

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