Ciprefadol Succinate
Basic information
- CAS
60719-85-9- Standard SMILES
O=C(O)CCC(=O)O.Oc1cccc([C@@]23CCCC[C@H]2CN(CC2CC2)CC3)c1- InChIKey
RAGPBJMJHPNLAJ-QQTWVUFVSA-N- Molecular formula
- C23H33NO5
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.23587315
Names & identifiers
- Preferred name
- Ciprefadol Succinate
- IUPAC
- 3-[(4aR,8aR)-2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol;butanedioic acid
- English name
- butanedioic acid
- Molecular formula
- C23H33NO5
- Molecular weight
- 118.09
Names & synonyms
Ciprefadol succinateCompound 113878Ciprefadol succinate [USAN]60719-85-9UNII-68ENP3YGUF68ENP3YGUFCiprefadol succinate (USAN)DTXSID20209538Phenol, 3-(2-(cyclopropylmethyl)octahydro-4a(2H)-isoquinolinyl-, trans, (-)-, butanedioate (1:1) (salt)(-)-M-(2-(CYCLOPROPYLMETHYL)-1,3,4,5,6,7,8,8A.ALPHA.-OCTAHYDRO-4A.BETA.(2H)-ISOQUINOLYL)PHENOL SUCCINATE (1:1) (SALT)(-)-m-(2-(Cyclopropylmethyl)-1,3,4,5,6,7,8,8aalpha-octahydro-4abeta(2H)-isoquinolyl)phenol succinate (1:1) (salt)RefChem:126324
Show more names
DTXCID70132029SCHEMBL122376CHEMBL2107272NSC334692NSC-334692D03519Q27264251Phenol, 3-(2-(cyclopropylmethyl)octahydro-4a(2H)-isoquinolinyl-, trans, (-)-, butanedioate
Database identifiers
- CAS
60719-85-9- PubChem CID
- 333482
- DTXSID
DTXSID20209538- ChEMBL
CHEMBL2107272- UNII
- 68ENP3YGUF
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- FDA UNII
- 68 ENP3YGUF · 68ENP3YGUF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…