HLXCXOQXUDRJLF-VRZFHARJSA-N manufacturers and suppliers on PharmaCompass

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Also known as: Schembl4056981, Akos015888113
Molecular Formula
C15H20ClNO2
Molecular Weight
281.78  g/mol
InChI Key
HLXCXOQXUDRJLF-VRZFHARJSA-N

HLXCXOQXUDRJLF-VRZFHARJSA-N
1 2D Structure

HLXCXOQXUDRJLF-VRZFHARJSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl (3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
2.1.2 InChI
InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14?;/m1./s1
2.1.3 InChI Key
HLXCXOQXUDRJLF-VRZFHARJSA-N
2.1.4 Canonical SMILES
C1CC2CC(NC2C1)C(=O)OCC3=CC=CC=C3.Cl
2.1.5 Isomeric SMILES
C1C[C@@H]2CC(N[C@@H]2C1)C(=O)OCC3=CC=CC=C3.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl4056981

2. Akos015888113

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 281.78 g/mol
Molecular Formula C15H20ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass281.1182566 g/mol
Monoisotopic Mass281.1182566 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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