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A68930 (hydrochloride)

CAT: 0804-HY-103431-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103431-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A68930 hydrochloride, as a dopamine D1 receptor agonist, can be used for the research of bronchiectasis[1].
CAS Number
130465-39-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Dopamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/a68930-hydrochloride.html
Purity
98.71
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=C2C[C@@H](C3=CC=CC=C3)O[C@@H](CN)C2=CC=C1O.[H]Cl
Molecular Formula
C16H18ClNO3
Molecular Weight
307.77
Precautions
H302, H315, H319, H335
References & Citations
[1]Matsuyama N, et al. The dopamine D1 receptor is expressed and induces CREB phosphorylation and MUC5AC expression in human airway epithelium. Respir Res. 2018;19 (1) :53. Published 2018 Apr 2.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
D1 Receptor

Chemical Information

cis-1-(Aminomethyl)-3-phenylisochroman-5,6-diol hydrochloride
CAS Number130465-39-3
PubChem CID9904672
IUPAC Name(1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride
Molecular FormulaC16H18ClNO3
Molecular Weight307.77
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity319
SMILES
C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3.Cl
InChI
InChI=1S/C16H17NO3.ClH/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10;/h1-7,14-15,18-19H,8-9,17H2;1H/t14-,15-;/m0./s1
InChIKey
PQPGUUQPTSMLKU-YYLIZZNMSA-N
Chemical Structure
2D Structure
2D structure of cis-1-(Aminomethyl)-3-phenylisochroman-5,6-diol hydrochloride
CAS: 130465-39-3
CID: 9904672
Formula: C16H18ClNO3
MW: 307.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.77
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass307.0975211
Monoisotopic Mass307.0975211
Topological Polar Surface Area75.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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