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Reserpine-d9

CAT: 0804-HY-N0480S-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0480S-01Size:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Reserpine-d9 is the deuterium labeled Reserpine. Reserpine is an inhibitor of the vesicular monoamine transporter 2 (VMAT2) .
CAS Number
84759-11-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; Isotope-Labeled Compounds; Monoamine Transporter
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Membrane Transporter/Ion Channel; Others
Field of Research
Neurological Disease; Cancer
Purity
97.0
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
COC([C@H]1[C@@]2([H])C[C@]3([H])C4=C(CCN3C[C@@]2([H])C[C@H]([C@@H]1OC)OC(C5=CC(OC([2H])([2H])[2H])=C(C(OC([2H])([2H])[2H])=C5)OC([2H])([2H])[2H])=O)C6=CC=C(OC)C=C6N4)=O
Molecular Formula
C33H31D9N2O9
Molecular Weight
617.73
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Antkiewicz-Michaluk L, et al. Withdrawal from repeated administration of a low dose of reserpine induced opposing adaptive changes in the noradrenaline and serotonin system function: a behavioral and neurochemical ex vivo and in vivo studies in the rat. Prog Neuropsychopharmacol Biol Psychiatry. 2015 Mar 3;57:146-54.|[3]Hong B, et al. Reserpine Inhibit the JB6 P+ Cell Transformation Through Epigenetic Reactivation of Nrf2-Mediated Anti-oxidative Stress Pathway. AAPS J. 2016 May;18 (3) :659-69.|[4]Sreemantula S, et al. Reserpine methonitrate, a novel quaternary analogue of reserpine augments urinary excretion of VMA and 5-HIAA without affecting HVA in rats. BMC Pharmacol. 2004 Nov 16;4:30.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Reserpine-d9
CAS Number84759-11-5
PubChem CID71751998
IUPAC Namemethyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[3,4,5-tris(trideuteriomethoxy)benzoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular FormulaC33H40N2O9
Molecular Weight617.7
XLogP4
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1000
SMILES
[2H]C([2H])([2H])OC1=CC(=CC(=C1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC
InChI
InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1/i2D3,3D3,4D3
InChIKey
QEVHRUUCFGRFIF-QXCASUSISA-N
Chemical Structure
2D Structure
2D structure of Reserpine-d9
CAS: 84759-11-5
CID: 71751998
Formula: C33H40N2O9
MW: 617.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight617.7
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass617.32987157
Monoisotopic Mass617.32987157
Topological Polar Surface Area118 Ų
Heavy Atom Count44
Formal Charge0
Complexity1000
Isotope Atom Count9
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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