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Pytamine HCl

CAT: 0931-T202497-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202497-01Size:10 mg
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CAS Number
641-35-0
Bioactivity
Pytamine is a nitroamine derivative that belongs to the benzylpyridine class and possesses diuretic activity.
Smiles
Cl.N=1C=CC=CC1C(OCCN(C)C)C=2C(=CC=CC2CC)CC
Molecular Formula
C20H29ClN2O
Molecular Weight
348.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pytamine hydrochloride
CAS Number641-35-0
PubChem CID119057562
IUPAC Name2-[(2,6-diethylphenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine;hydrochloride
Molecular FormulaC20H29ClN2O
Molecular Weight348.9
Topological Polar Surface Area25.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity309
SMILES
CCC1=C(C(=CC=C1)CC)C(C2=CC=CC=N2)OCCN(C)C.Cl
InChI
InChI=1S/C20H28N2O.ClH/c1-5-16-10-9-11-17(6-2)19(16)20(23-15-14-22(3)4)18-12-7-8-13-21-18;/h7-13,20H,5-6,14-15H2,1-4H3;1H
InChIKey
RAJMUIGOGAKFFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pytamine hydrochloride
CAS: 641-35-0
CID: 119057562
Formula: C20H29ClN2O
MW: 348.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight348.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass348.1968412
Monoisotopic Mass348.1968412
Topological Polar Surface Area25.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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