Tropanserin hydrochloride

HCID 68599

Notes Reactions

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Basic information

CAS: 85181-38-0
Standard SMILES: Cc1cc(C)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c1.Cl
InChIKey: FBJOIDSZBBTUOV-JXMYBXCISA-N
Molecular formula: C17H24ClNO2
Average molar mass: 309.8 g/mol
Monoisotopic mass: 309.1495567

Names & identifiers

Preferred name: Tropanserin hydrochloride
IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dimethylbenzoate;hydrochloride

Names & synonyms

Tropanserin hydrochlorideTropanserin HCl85181-38-0Tropanserin hydrochloride [USAN]Tropyl 3,5-dimethylbenzoate hydrochloride(1r,5s)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate hydrochloride(1:1)MDL 72,4226R9A98I18OMDL-72422Tropanserin hydrochloride (USAN)UNII-6R9A98I18O1alphaH,5alphaH-Tropan-3alpha-yl 3,5-dimethylbenzoate, hydrochloride

Show more names

CHEMBL1742469SCHEMBL29400878FBJOIDSZBBTUOV-JXMYBXCISA-NBenzoic acid, 3,5-dimethyl-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, endo-D06253Q272653721.ALPHA.H,5.ALPHA.H-TROPAN-3A-YL 3,5-DIMETHYLBENZOATE, HYDROCHLORIDEEndo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dimethylbenzoate hydrochloride

Database identifiers

CAS: 85181-38-0
PubChem CID: 68599
ChEMBL: CHEMBL1742469
UNII: 6R9A98I18O

Properties

Computed structural properties

Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 346

Related reactions

2 records

New reaction record

HRID 1284513As productuspto-grants-1986_01

HRID 1381285As productuspto-grants-1986_04

Compound notes

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