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ERD03

CAT: 0931-T61072-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T61072-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1377897-01-2
Target
Others
Related Pathways
Others
Purity
>99.99%
Bioactivity
ERD03 is a selective compound targeting EXOSC3, disrupting EXOSC3-RNA interactions in a concentration-dependent manner, useful in brain neurodegenerative disease research.
Smiles
O=C(C1=CC=CC(=C1)CCC(O)(C)C)N2CC=3C=CC=CC3C(O)C2
Molecular Formula
C21H25NO3
Molecular Weight
339.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol

(4-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(3-hydroxy-3-methylbutyl)phenyl]methanone is an isoquinolol that is 1,2,3,4-tetrahydroisoquinolin-4-ol in which the hydrogen of the secondary amine is substituted by a 3-(3-hydroxy-3-methylbutyl)benzoyl group. It is a tertiary carboxamide, a member of benzamides, an isoquinolinol, a tertiary alcohol and a secondary alcohol.

CAS Number1377897-01-2
PubChem CID70761166
IUPAC Name(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
Molecular FormulaC21H25NO3
Molecular Weight339.4
XLogP2.3
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity464
SMILES
CC(C)(CCC1=CC(=CC=C1)C(=O)N2CC(C3=CC=CC=C3C2)O)O
InChI
InChI=1S/C21H25NO3/c1-21(2,25)11-10-15-6-5-8-16(12-15)20(24)22-13-17-7-3-4-9-18(17)19(23)14-22/h3-9,12,19,23,25H,10-11,13-14H2,1-2H3
InChIKey
HYVUFYJZMRRTOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-(3-Hydroxy-3-methylbutyl)benzoyl]-1,2,3,4-tetrahydro-4-isoquinolinol
CAS: 1377897-01-2
CID: 70761166
Formula: C21H25NO3
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass339.18344366
Monoisotopic Mass339.18344366
Topological Polar Surface Area60.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-139059-01ERD03

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