Basic information
- CAS
42024-98-6- Standard SMILES
CN1[C@@H]2CCC(C)(C)[C@H]1C[C@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2- InChIKey
AMHPTVWBZSYFSS-BZUAXINKSA-N- Molecular formula
- C21H27NO3S2
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.14323607
Overview
RN given refers to HCl salt without isomeric designation; structure
Names & identifiers
- Preferred name
- Mazaticol
- IUPAC
- [(1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
- English name
- Mazaticol
- Molecular formula
- C21H27NO3S2
- Molecular weight
- 405.58
Names & synonyms
MazaticolMazaticolum42024-98-6DTXSID1057743PG 5016,6,9-trimethyl-9-azabicyclo(3.3.1)non-3 beta-yl alpha,alpha-di-(2-thienyl) glycolic acid, hydrochlorideRefChem:156024N04AA10DTXCID1017794452-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3-yl ester, rel-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3 beta-yl di-2-thienylglycolate(1R,3R,5S)-6,6,9-trimethyl-9-azabicyclo(3.3.1)nonan-3-yl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate
Show more names
2-Thiopheneacetic acid, a-hydroxy-a-2-thienyl-, 6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, exo-α-Hydroxy-α-(2-thienyl)-2-thiopheneacetic acid (1α,5α)-6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3α-yl ester2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, rel-2-Thiopheneacetic acid, a-hydroxy-a-2-thienyl-, (1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]non-3-yl ester, rel- (9CI)
alpha-hydroxy-alpha-2-thienyl-2-thiopheneacetic acid 6,6,9-trimethyl-9-azabicyclo (3.3.1)non-3-yl ester.HClI6X824OGWZ9-Azabicyclo[3.3.1]nonane, 2-thiopheneacetic acid deriv.SCHEMBL34619orb1688029CHEMBL2105187[(1R,3R,5R)-6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetateHY-105793
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 528.7 · 528.7±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.29(Predicted)
- FDA UNII
- 6 X824OGWZ · I6X824OGWZ
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Mazaticol is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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