chempirical

Corydaline

C22H27NO4CAS 518-69-4369.46 g/mol

Open in Covalent MOL file
OOOON
EtherTertiary amine

Properties

Molecular formula
C22H27NO4
Molar mass
369.46 g/mol
Exact mass
369.1940 Da
Melting point
135–136 °C
logP
3.94Crippen estimate
Polar surface area
40.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4
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
518-69-4
SMILES
COc1cc2c(cc1OC)[C@H]1[C@@H](C)c3ccc(OC)c(OC)c3CN1CC2
InChIKey
VRSRXLJTYQVOHC-YEJXKQKISA-N
InChI
InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S,13aR)-
  • 13Aβ-Berbine, 2,3,9,10-tetramethoxy-13α-methyl-
  • 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)-
  • (13S,13aR)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-13-methyl-6H-dibenzo[a,g]quinolizine
  • Corydaline, (+)-
  • Corydalin
  • d-Corydaline
  • (+)-Corydaline
  • 7,8,13,13α-Tetrahydrocorydaline
  • NSC 406036
  • (13S,13AR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

Work with Corydaline

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

(±)-Tetrahydropalmatine10097-84-463 % similar Rotundine2934-97-663 % similar D-Tetrahydropalmatine3520-14-763 % similar (-)-Tetrahydropalmatine483-14-763 % similar Dl-Tetrahydropalmatine hydrochloride6024-85-762 % similar Canadine522-97-456 % similar Stepholidine16562-13-345 % similar (-)-Hydrastine118-08-141 % similar

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

Same formula

2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid54574-82-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia