Tropabazate
Basic information
- CAS
64294-94-6- Standard SMILES
NNC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)Oc1ccccc1- InChIKey
SGSSRQHQTWWMIF-UHFFFAOYSA-N- Molecular formula
- C15H19N3O4
- Average molar mass
- 305.33 g/mol
- Monoisotopic mass
- 305.1375561
Names & identifiers
- Preferred name
- Tropabazate
- IUPAC
- phenyl (1R,5S)-3-(hydrazinecarbonyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
- English name
- Tropabazate
- Molecular formula
- C15H19N3O4
- Molecular weight
- 305.33
Names & synonyms
TropabazateTropabazate [INN]Tropabazato64294-94-67KX69G433TPhenyl 3alpha-hydroxy-8-azabicyclo(3.2.1)octane-8-carboxylate carbazate (ester)TropabazatumTropabazatum [INN-Latin]Tropabazato [INN-Spanish]UNII-7KX69G433T8-Phenoxycarbonyl-3-alpha-hydrazinocarbonyloxy-nortropanePhenyl endo-3-((hydrazinocarbonyl)oxy)-8-azabicyclo(3.2.1)octane-8-carboxylate
Show more names
3-Hydrazinocarbonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid phenyl ester8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-[(hydrazinocarbonyl)oxy]-, phenyl ester, endo- (9CI)
phenyl (1S,5R)-3-(hydrazinecarbonyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylateCHEMBL2104515SCHEMBL29388849DTXSID0010243208-Azabicyclo(3.2.1)octane-8-carboxylic acid, 3-((hydrazinocarbonyl)oxy)-, phenyl ester, endo-NS00125291Q27268475PHENYL 3.ALPHA.-HYDROXY-8-AZABICYCLO(3.2.1)OCTANE-8-CARBOXYLATE CARBAZATE (ESTER)
Database identifiers
- CAS
64294-94-6- PubChem CID
- 68836
- DTXSID
DTXSID001024320- ChEMBL
CHEMBL2104515- UNII
- 7KX69G433T
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- FDA UNII
- 7 KX69G433T · 7KX69G433T
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Related reactions
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Compound notes
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