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O-Methylpsychotrine

CAT: 0931-T124720-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T124720-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
523-01-3
Target
Others
Related Pathways
Others
Bioactivity
O-Methylpsychotrine is a useful organic compound for research related to life sciences. The catalog number is T124720 and the CAS number is 523-01-3.
Smiles
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1=NCCc2cc(OC)c(OC)cc12
Molecular Formula
C29H38N2O4
Molecular Weight
478.633
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methylpsychotrine

O-Methylpsychotrine is a member of isoquinolines.

CAS Number523-01-3
PubChem CID65033
IUPAC Name(2R,3R,11bS)-2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
Molecular FormulaC29H38N2O4
Molecular Weight478.6
XLogP4.6
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity731
SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC
InChI
InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1
InChIKey
FBRKYRSUSJWLHH-HMHJJOSWSA-N
Chemical Structure
2D Structure
2D structure of Methylpsychotrine
CAS: 523-01-3
CID: 65033
Formula: C29H38N2O4
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass478.28315770
Monoisotopic Mass478.28315770
Topological Polar Surface Area52.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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