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Romergoline

CAT: 0931-T71707-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71707-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107052-56-2
Target
Others
Related Pathways
Others
Bioactivity
Romergoline, a newly synthesized ergoline-derivative, shows a unique pharmacological profile, displaying a full dopamine (DA) antagonism in normal animals but a full DA agonism in"denervated" animal models.
Smiles
CN1[C@]2(C(C=3C=4C(C2)=CNC4C=CC3)=C[C@@H](CN5CC(=O)NC(=O)C5)C1)[H]
Molecular Formula
C20H22N4O2
Molecular Weight
350.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fce 23884

Romergoline is an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.

CAS Number107052-56-2
PubChem CID65898
IUPAC Name4-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperazine-2,6-dione
Molecular FormulaC20H22N4O2
Molecular Weight350.4
XLogP1.8
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity632
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)NC(=O)C5
InChI
InChI=1S/C20H22N4O2/c1-23-8-12(9-24-10-18(25)22-19(26)11-24)5-15-14-3-2-4-16-20(14)13(7-21-16)6-17(15)23/h2-5,7,12,17,21H,6,8-11H2,1H3,(H,22,25,26)/t12-,17-/m1/s1
InChIKey
RJCXNCSJGRUWRW-SJKOYZFVSA-N
Chemical Structure
2D Structure
2D structure of Fce 23884
CAS: 107052-56-2
CID: 65898
Formula: C20H22N4O2
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass350.17427596
Monoisotopic Mass350.17427596
Topological Polar Surface Area68.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19219944-01Romergoline
GTR19219914-01Romergoline 2HCl

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