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Nitrocaramiphen hydrochloride

CAT: 0957-E0829-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E0829-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98636-73-8
Target
AChR
Applications
Neuronal Signaling
Smiles
Cl.CCN (CC) CCOC (=O) C1 (CCCC1) C2=CC=C (C=C2) [N+] ([O-]) =O
Molecular Formula
C18H26N2O4.ClH
Additionnal Information
Nitrocaramiphen hydrochloride is an antagonist of muscarinic acetylcholine receptor M1 (mAChR M1), which can completely remove the hyperpolarizing effect of muscarine.
Storage Conditions
3 years -20°C powder

Chemical Information

Nitrocaramiphen hydrochloride
CAS Number98636-73-8
PubChem CID25102587
IUPAC Name2-(diethylamino)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate;hydrochloride
Molecular FormulaC18H27ClN2O4
Molecular Weight370.9
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity417
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-].Cl
InChI
InChI=1S/C18H26N2O4.ClH/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23;/h7-10H,3-6,11-14H2,1-2H3;1H
InChIKey
XWQWACGTGFICFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrocaramiphen hydrochloride
CAS: 98636-73-8
CID: 25102587
Formula: C18H27ClN2O4
MW: 370.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass370.1659350
Monoisotopic Mass370.1659350
Topological Polar Surface Area75.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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