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About This Item
Empirical Formula (Hill Notation):
C29H31N5O3 · HCl · xH2O
CAS Number:
Molecular Weight:
534.05 (anhydrous basis)
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Level
assay
>98% (HPLC)
form
powder
storage condition
desiccated
color
white to beige
solubility
DMSO: 10 mg/mL, clear
originator
GlaxoSmithKline
storage temp.
2-8°C
SMILES string
O.Cl.COc1ccc(NC(=O)c2ccc(cc2)-c3ccc(cc3C)-c4noc(C)n4)cc1N5CCN(C)CC5
InChI
1S/C29H31N5O3.ClH.H2O/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34;;/h5-12,17-18H,13-16H2,1-4H3,(H,31,35);1H;1H2
InChI key
KSXUSAQPMSACQS-UHFFFAOYSA-N
Gene Information
human ... HTR1B(3351), HTR1D(3352)
Biochem/physiol Actions
Potent, selective and orally active 5-HT1B/1D serotonin receptor antagonist.
Features and Benefits
This compound was developed by GlaxoSmithKline. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.
Legal Information
Sold for research purposes under agreement from GlaxoSmithKline
Disclaimer
Desiccate
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| G5793-10MG | 04061832082219 |
| G5793-50MG | 04061833638514 |