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Ren-1869 hydrochloride

CAT: 0926-VGA14976-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-VGA14976-01Size:1 mg
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CAS Number
170149-76-5
Smiles
C1CC (CN (C1) CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42) C (=O) O.Cl
Molecular Formula
C24H28ClNO2
Molecular Weight
397.9 g/mol
Controlled
No

Chemical Information

ReN-1869 hydrochloride
CAS Number170149-76-5
PubChem CID9800975
IUPAC Name(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidine-3-carboxylic acid;hydrochloride
Molecular FormulaC24H28ClNO2
Molecular Weight397.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity516
SMILES
C1C[C@H](CN(C1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O.Cl
InChI
InChI=1S/C24H27NO2.ClH/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23;/h1-4,7-8,10-12,20H,5-6,9,13-17H2,(H,26,27);1H/t20-;/m1./s1
InChIKey
OJCOPCYFLFDPTD-VEIFNGETSA-N
Chemical Structure
2D Structure
2D structure of ReN-1869 hydrochloride
CAS: 170149-76-5
CID: 9800975
Formula: C24H28ClNO2
MW: 397.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass397.1808568
Monoisotopic Mass397.1808568
Topological Polar Surface Area40.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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