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Methyl dihydrolysergate

CAT: 0931-T33338-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T33338-01Size:100 mg
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CAS Number
35470-53-2
Target
Others
Related Pathways
Others
Bioactivity
Methyl dihydrolysergate is a bioactive chemical.
Smiles
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)OC
Molecular Formula
C17H20N2O2
Molecular Weight
284.359
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl dihydrolysergate
CAS Number35470-53-2
PubChem CID50852720
IUPAC Namemethyl (6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Molecular FormulaC17H20N2O2
Molecular Weight284.35
XLogP2.2
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity427
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)OC
InChI
InChI=1S/C17H20N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-5,8,11,13,15,18H,6-7,9H2,1-2H3/t11-,13?,15-/m1/s1
InChIKey
OSKZYLPFYNARRX-IMORHIPNSA-N
Chemical Structure
2D Structure
2D structure of Methyl dihydrolysergate
CAS: 35470-53-2
CID: 50852720
Formula: C17H20N2O2
MW: 284.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.35
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass284.152477885
Monoisotopic Mass284.152477885
Topological Polar Surface Area45.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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