N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide
Basic information
- CAS
57568-80-6- Standard SMILES
C1CCC(N=C(NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)CC1- InChIKey
GKCGWXNLOYTUNC-UHFFFAOYSA-N- Molecular formula
- C21H35N3O
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.27801275
Names & identifiers
- Preferred name
- N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide
- IUPAC
- N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide
- English name
- PNU 37883 hydrochloride
- Molecular formula
- C21H36ClN3O
- Molecular weight
- 381.98
Names & synonyms
PNU-37883N'-(ADamantan-1-yl)-N-cyclohexylmorpholine-4-carboximidamide122252-09-9CHEMBL333121SCHEMBL1073471SCHEMBL1073473SCHEMBL1149912SCHEMBL30038829GTPL13269N-(1-adamantyl)-N'-cyclohexylmorpholine-4-carboximidamide43NV3J455PPNU-37783A
Show more names
U-37883APNU 37883 HClPNU 37883 hydrochlorPNU 37883 HYDROCHLORIDEU-37883A, ATP-sensitive K+ channel blockerN-CYCLOHEXYL-N'-TRICYCLO[3.3.1.1(3,7)]DEC-1-YL-4-MORPHOLINECARBOXIMIDAMIDE HYDROCHLORIDE
4-morpholinecarboximidamide, n-cyclohexyl-n'-tricyclo[3.3.1.13,7]dec-1-yl-CCG-204191SDCCGSBI-0050084.P002NCGC00162061-02NCGC00162061-03BRD-K12769093-003-01-3
Database identifiers
- CAS
57568-80-6- PubChem CID
- 64393
- ChEMBL
CHEMBL333121- UNII
- 43NV3J455P
- Nikkaji
- J555.478K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- RTECS
- 9865500 · QD9865500
- storage temp.
- 2 · 2-8°C
- solubility
- 23 mg/mL · DMSO: ~23 mg/mL
- form
- powder
- color
- white
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesPNU 37883 hydrochloride (PNU 37883A) is a selective vascular ATP-sensitive potassium (Kir6, KATP) channels blocker. PNU 37883 hydrochloride has diuretic effects with specific binding in kidney and vascular smooth muscle rather than in brain or pancreatic beta cells[1][2].
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Compound notes
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