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Chemical structure of 25I-NBOMe 3-methoxy isomer (hydrochloride)

GC42106

25I-NBOMe 3-methoxy isomer (hydrochloride)

Also known as 2-(4-iodo-2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride

25I-NBOMe, a derivative of the serotonin 2A (5-HT2A) receptor agonist 2C-I, is 16-fold more potent than 2C-I with a Ki value of 0·044 nM for human 5-HT2A receptors

ChemicalCAS1566571-63-8MW463.7FormulaC18H22INO3•HCl
CAS number
1566571-63-8
Molecular weight
463.7
Formula
C18H22INO3•HCl
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 20 mg/ml
InChIKey
NFHNTZHBZCDGKV-UHFFFAOYSA-N
Catalogue number
GC42106
Brand
GLPBIO
Computed properties PubChem CID 118796513 · TPSA 39.7 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
39.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
24

SMILES COC1=CC=CC(=C1)CNCCC2=CC(=C(C=C2OC)I)OC.Cl

Computed descriptors from PubChem (CID 118796513), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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