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Nicainoprol 25mg

CAT: 0628-A12269-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12269-25Size:25 mg
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CAS Number
76252-06-7

Chemical Information

Nicainoprol
CAS Number76252-06-7
PubChem CID71147
IUPAC Name[8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
Molecular FormulaC21H27N3O3
Molecular Weight369.5
XLogP1.6
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity474
SMILES
CC(C)NCC(COC1=CC=CC2=C1N(CCC2)C(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C21H27N3O3/c1-15(2)23-13-18(25)14-27-19-9-3-6-16-8-5-11-24(20(16)19)21(26)17-7-4-10-22-12-17/h3-4,6-7,9-10,12,15,18,23,25H,5,8,11,13-14H2,1-2H3
InChIKey
AUIHHZBJBKRDIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicainoprol
CAS: 76252-06-7
CID: 71147
Formula: C21H27N3O3
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass369.20524173
Monoisotopic Mass369.20524173
Topological Polar Surface Area74.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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