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Lergotrile

CAT: 0013-GTR19199010-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199010-03Size:100 mg
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Description
Lergotrile is a dopaminergic ergoline derivative that acts as a prolactin inhibitor by suppressing its secretion. It is utilized in biochemical research to study prolactin-related pathways and has been investigated in both in vitro and in vivo models for endocrine and neurological studies.
CAS Number
36945-03-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
ClC1=C2C=3C ([C@@]4 ([C@@] (C2) (N (C) C[C@H] (CC#N) C4) [H]) [H]) =CC=CC3N1
Molecular Formula
C17H18ClN3
Molecular Weight
299.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lergotrile

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

CAS Number36945-03-6
PubChem CID6918447
IUPAC Name2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
Molecular FormulaC17H18ClN3
Molecular Weight299.8
XLogP3.3
Topological Polar Surface Area42.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity458
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N
InChI
InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1
InChIKey
JKAHWGPTNVUTNB-IXPVHAAZSA-N
Chemical Structure
2D Structure
2D structure of Lergotrile
CAS: 36945-03-6
CID: 6918447
Formula: C17H18ClN3
MW: 299.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass299.1189253
Monoisotopic Mass299.1189253
Topological Polar Surface Area42.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity458
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

Alternative Products

CatalogName
T25671-01Lergotrile
HY-107002ALergotrile (mesylate)
T25671L-01Lergotrile mesylate

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