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666-15

CAT: 0127-BUP04788-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04788-01Size:5 mg
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CAS Number
1433286-70-4
Synonyms
CREB inhibitor
Purity
=98%
Smiles
Cl.NCCCOc1cc2ccccc2cc1C(=O)NCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O

Chemical Information

3-(3-Aminopropoxy)-N-[2-[[3-[[(4-chloro-2-hydroxyphenyl)amino]carbonyl]-2-naphthalenyl]oxy]ethyl]-2-naphthalenecarboxamide hydrochloride
CAS Number1433286-70-4
PubChem CID71566396
IUPAC Name3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide;hydrochloride
Molecular FormulaC33H31Cl2N3O5
Molecular Weight620.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity879
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCOC3=CC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN.Cl
InChI
InChI=1S/C33H30ClN3O5.ClH/c34-25-10-11-28(29(38)20-25)37-33(40)27-17-22-7-2-4-9-24(22)19-31(27)42-15-13-36-32(39)26-16-21-6-1-3-8-23(21)18-30(26)41-14-5-12-35;/h1-4,6-11,16-20,38H,5,12-15,35H2,(H,36,39)(H,37,40);1H
InChIKey
LELLCPHHYHLWBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Aminopropoxy)-N-[2-[[3-[[(4-chloro-2-hydroxyphenyl)amino]carbonyl]-2-naphthalenyl]oxy]ethyl]-2-naphthalenecarboxamide hydrochloride
CAS: 1433286-70-4
CID: 71566396
Formula: C33H31Cl2N3O5
MW: 620.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass619.1640765
Monoisotopic Mass619.1640765
Topological Polar Surface Area123 Ų
Heavy Atom Count43
Formal Charge0
Complexity879
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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Alternative Products

CatalogName
BA4654-5666-15
HY-101120R666-15 (Standard)
A18344-10666-15 10mg
A18344-1666-15 1mg
A18344-100666-15 100mg
A18344-50666-15 50mg
A18344-25666-15 25mg
A18344-5666-15 5mg
C13715-01Compound 3i (666-15)

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