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NBI-98782

CAT: 1410-M20850-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M20850-02Size:1 mL x 10 mM in DMSO
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Description
NBI-98782 is an inhibtior of vesicular monoamine transporter (VMAT2) (Ki: 0.97 nM)
CAS Number
85081-18-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
319.44
Molecular Formula
C19H29NO3
Notes
Research use only, not for human use.
Receptor
VMAT2

Chemical Information

alpha-Dihydrotetrabenazine

(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is a member of isoquinolines.

CAS Number85081-18-1
PubChem CID14580381
IUPAC Name(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
Molecular FormulaC19H29NO3
Molecular Weight319.4
XLogP3.2
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity389
SMILES
CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1O)OC)OC
InChI
InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m1/s1
InChIKey
WEQLWGNDNRARGE-DJIMGWMZSA-N
Chemical Structure
2D Structure
2D structure of alpha-Dihydrotetrabenazine
CAS: 85081-18-1
CID: 14580381
Formula: C19H29NO3
MW: 319.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass319.21474379
Monoisotopic Mass319.21474379
Topological Polar Surface Area41.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E7979-1mgNBI-98782
A20983-50NBI-98782 50mg
A20983-100NBI-98782 100mg
A20983-25NBI-98782 25mg
A20983-10NBI-98782 10mg
A20983-5NBI-98782 5mg
A20983-200NBI-98782 200mg
A20983-1NBI-98782 1mg
A20983-10mM-DNBI-98782 10mM * 1mL in DMSO
HY-110135-01NBI-31772

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