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Chemical structure of Yohimbine-d3

GC70158

Yohimbine-d3

Also known as trideuteriomethyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Yohimbine-d3 is the isotopologue of Yohimbine labeled with deuterium

ChemicalCAS133146-00-6MW357.46FormulaC21H23D3N2O3
CAS number
133146-00-6
Molecular weight
357.46
Formula
C21H23D3N2O3
Solubility
DMSO ： 5 mg/mL (13·99 mM; Need ultrasonic); H2O ： 1 mg/mL (2·80 mM; ultrasonic and warming and heat to 80°C)
InChIKey
BLGXFZZNTVWLAY-DJOPYVKOSA-N
Catalogue number
GC70158
Brand
GLPBIO
Computed properties PubChem CID 168006852 · XLogP 2.9 · TPSA 65.6 Ų · H-bond donors 2
XLogP
2.9
TPSA
65.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

SMILES [2H]C([2H])([2H])OC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O

Computed descriptors from PubChem (CID 168006852), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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