chempirical

(4Bs,5R,10bs,11R)-5,6,11,12-tetrahydro-13,18-dimethyl-5,10B:11,4B-bis(iminoethano)dibenzo[C,H][2,6]naphthyridine

C22H26N4CAS 595-05-1346.48 g/mol

Open in Covalent MOL file
NNHNNH
Secondary amineTertiary amine

Properties

Molecular formula
C22H26N4
Molar mass
346.48 g/mol
Exact mass
346.2157 Da
Melting point
245 °C
logP
3.04Crippen estimate
Polar surface area
30.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
S, R, S, Rin SMILES atom order

Identifiers

CAS number
595-05-1
SMILES
CN1CC[C@]23c4ccccc4N[C@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21
InChIKey
XSYCDVWYEVUDKQ-GXRSIYKFSA-N
InChI
InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, (4bS,5R,10bS,11R)-
  • Calycanthine
  • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4bα,5α,10bα,11α)]-
  • [4bS-(4bα,5α,10bα,11α)]-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine
  • (+)-Calycanthine
  • d-Calycanthine
  • NSC 99016

Work with (4Bs,5R,10bs,11R)-5,6,11,12-tetrahydro-13,18-dimethyl-5,10B:11,4B-bis(iminoethano)dibenzo[C,H][2,6]naphthyridine

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

(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-132 % similar 9,9-Dimethyl-9,10-dihydroacridine6267-02-331 % similar

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

Elsewhere

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