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About This Item
Empirical Formula (Hill Notation):
C16H21N3O2 · 0.5 C4H4O4
CAS Number:
Molecular Weight:
345.39
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
solid
Quality Segment
assay
≥98% (HPLC)
form
solid
optical activity
[α]20/D −13.0°, c = 0.215 in methanol(lit.)
color
white to off-white
solubility
DMSO: >10 mg/mL
SMILES string
OC(=O)\C=C\C(O)=O.CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(cc12)C#N.CC(C)(C)NC[C@H](O)COc3cccc4[nH]c(cc34)C#N
InChI
1S/2C16H21N3O2.C4H4O4/c2*1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14;5-3(6)1-2-4(7)8/h2*4-7,12,18-20H,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*12-;/m00./s1
InChI key
ZSBITJKBOWVCCI-SODPCTSLSA-N
Biochem/physiol Actions
5-HT1A/1B serotonin receptor antagonist; β3-adrenoceptor antagonist.
Features and Benefits
This compound is featured on the β-Adrenoceptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.
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 |
|---|---|
| C238-1MG | 04061825982045 |
| C238-5MG | 04061832089706 |