Basic information
- CAS
510-25-8- Standard SMILES
CN1C2CCC1CC(OC(=O)C1CCC(C(=O)Oc3ccccc3)(C3CC4CCC(C3)N4C)c3ccccc31)C2- InChIKey
AVAUQNOLDJXDPM-UHFFFAOYSA-N- Molecular formula
- C34H42N2O4
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.31445783
Names & identifiers
- Preferred name
- 1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
- IUPAC
- 1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
- English name
- BELLADONNA TOTAL ALKALOIDS
- Molecular formula
- C34H42N2O4
- Molecular weight
- 542.72
Names & synonyms
UNII-1DF50P9K2I1-O-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-O-phenyl 4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydro-1H-naphthalene-1,4-dicarboxylateorb1992051DTXSID30974306AKOS0407346931-Phenyltetralin-1,4-dicarbonsaeure-di-tropylesterT1246011,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) ester1alphaH,5alphaH-Tropan-3alpha-ol, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (2:1) (ester)4-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-phenyl 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylateBis(8-methyl-8-azabicyclo(3.2.1)oct-3-yl) 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalindicarboxylatTropyl isatropate
Show more names
Tropyl isotropateIsatropylditropeineDitropyl isatropate1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid bis[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 922
Physicochemical properties
- Melting point
- 129 ° · 129°
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 10 · 10.00±0.40(Predicted)
- FDA UNII
- 1 DF50P9K2I · 1DF50P9K2I
Chemistry & industry
Suppliers5 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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