Tilidine Hydrochloride

C17H24ClNO2 — CID 71393

IUPACethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H/t15-,17+;/m1./s1
InChIKeyMUWDJVKYGSDUSH-KALLACGZSA-N
MW309.80 g/mol
LogP—
Rot. Bonds5

About Tilidine Hydrochloride

Tilidine Hydrochloride (PubChem CID 71393) has the molecular formula C17H24ClNO2 and a molecular weight of 309.80 g/mol. Its IUPAC name is ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride.

Molecular Properties

Compound NameTilidine Hydrochloride
PubChem CID71393
Molecular FormulaC17H24ClNO2
Molecular Weight309.80 g/mol
Exact Mass309.15
IUPAC Nameethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H/t15-,17+;/m1./s1
InChIKeyMUWDJVKYGSDUSH-KALLACGZSA-N
XLogP—
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity358

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Meperidine
CID 4058
Focalin
CID 154100
Levomethadyl Acetate
CID 15130
Meperidine Hydrochloride
CID 5750
Proadifen Hydrochloride
CID 65341
Methylphenidate Hydrochloride
CID 9280
Aprofene
CID 71128
Methadyl Acetate
CID 10517
Tilidine
CID 30131
Proadifen
CID 4910
Levomethadyl acetate hydrochloride
CID 39371
Alphacetylmethadol
CID 22308

Frequently Asked Questions

What is the IUPAC name of Tilidine Hydrochloride?
The IUPAC name of Tilidine Hydrochloride (CID 71393) is ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate;hydrochloride.
What is the SMILES notation for Tilidine Hydrochloride?
The canonical SMILES for Tilidine Hydrochloride is CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.Cl.
What is the InChIKey of Tilidine Hydrochloride?
The InChIKey is MUWDJVKYGSDUSH-KALLACGZSA-N. The full InChI is InChI=1S/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H/t15-,17+;/m1./s1.
What are the key properties of Tilidine Hydrochloride?
Tilidine Hydrochloride has a molecular weight of 309.80 g/mol, XLogP of not available, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tilidine Hydrochloride is sourced from PubChem (CID 71393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).