Basic information
- CAS
548-65-2- Standard SMILES
CCN(CC)CCOC(=O)C1c2ccccc2-c2ccccc21.Cl- InChIKey
TYFLIJAGRULBIS-UHFFFAOYSA-N- Molecular formula
- C20H24ClNO2
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1495567
Names & identifiers
- Preferred name
- Pavatrine Hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
- English name
- Pavatrine
- Molecular formula
- C20H24ClNO2
- Molecular weight
- 345.87
Names & synonyms
Pavatrine hydrochlorideRobitrin548-65-2Ro 2-3208UNII-89BCO0A5W3NSC 3544889BCO0A5W3Fluorene-9-carboxylic acid, 3-quinuclidinyl esterPAVATRINE HCL2-Diethylaminoethyl 9-fluorenecarboxylate hydrochlorideNSC-354483-Quinuclidinol, 9-fluorenecarboxylate, hydrochloride
Show more names
Pavatrine2-diethylaminoethyl 9H-fluorene-9-carboxylate hydrochloride9H-Fluorene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
FLUORENE-9-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDEDTXSID702032839H-Fluorene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochlorideRefChem:170212DTXCID701257749H-Fluorene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride (9CI)Spasmadrina2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
Database identifiers
- CAS
548-65-2- PubChem CID
- 11058
- DTXSID
DTXSID70203283- UNII
- 89BCO0A5W3
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 143 · 143-144 °C
- FDA UNII
- 89 BCO0A5W3 · 89BCO0A5W3
Chemistry & industry
Suppliers2 total
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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