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25I-NBMD hydrochloride

CAT: 0013-GTR19249918-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249918-01Size:1 mg
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Description
25I-NBMD hydrochloride is a phenethylamine-based research chemical derived from 2C-I, functioning as a potent 5-HT2A receptor agonist. It is utilized in neuroscience research for investigating receptor pharmacology and signaling in both in vitro and in vivo models.
CAS Number
1539266-14-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.IC=1C=C (OC) C (=CC1OC) CCNCC=2C=CC=C3OCOC32
Molecular Formula
C18H21ClINO4
Molecular Weight
477.721
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

25I-NBMD (hydrochloride)
CAS Number1539266-14-2
PubChem CID137699642
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine;hydrochloride
Molecular FormulaC18H21ClINO4
Molecular Weight477.7
Topological Polar Surface Area49
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity386
SMILES
COC1=CC(=C(C=C1CCNCC2=C3C(=CC=C2)OCO3)OC)I.Cl
InChI
InChI=1S/C18H20INO4.ClH/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15;/h3-5,8-9,20H,6-7,10-11H2,1-2H3;1H
InChIKey
QKMOLNYYXDCGFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 25I-NBMD (hydrochloride)
CAS: 1539266-14-2
CID: 137699642
Formula: C18H21ClINO4
MW: 477.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass477.02038
Monoisotopic Mass477.02038
Topological Polar Surface Area49 Ų
Heavy Atom Count25
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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