Ciprefadol succinate

Base Information

• Chemical Name: Ciprefadol succinate
• CAS No.: 60719-85-9
• Molecular Formula: C23H33NO5
• Molecular Weight: 118.09
• Hs Code.: 2933499090
• NSC Number: 334692
• UNII: 68ENP3YGUF
• DSSTox Substance ID: DTXSID20209538
• Wikidata: Q27264251
• NCI Thesaurus Code: C79934
• ChEMBL ID: CHEMBL2107272
• Mol file: 60719-85-9.mol

Synonyms:Ciprefadol succinate;Compound 113878;Ciprefadol succinate [USAN];60719-85-9;UNII-68ENP3YGUF;68ENP3YGUF;Ciprefadol succinate (USAN);Phenol, 3-(2-(cyclopropylmethyl)octahydro-4a(2H)-isoquinolinyl-, trans, (-)-, butanedioate (1:1) (salt);SCHEMBL122376;CHEMBL2107272;DTXSID20209538;NSC334692;C19H27NO X C4H6O4;NSC-334692;C19-H27-N-O.C4-H6-O4;D03519;Q27264251;Phenol, 3-(2-(cyclopropylmethyl)octahydro-4a(2H)-isoquinolinyl-, trans, (-)-, butanedioate;(-)-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)

Chemical Property of Ciprefadol succinate

Chemical Property:

• Vapor Pressure: 6.36E-08mmHg at 25°C
• Boiling Point: 427.8°C at 760 mmHg
• Flash Point: 206.6°C
• PSA: 98.07000
• LogP: 3.80960
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 403.23587315
• Heavy Atom Count: 29
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CCN(CC2C1)CC3CC3)C4=CC(=CC=C4)O.C(CC(=O)O)C(=O)O
• Isomeric SMILES: C1CC[C@]2(CCN(C[C@@H]2C1)CC3CC3)C4=CC(=CC=C4)O.C(CC(=O)O)C(=O)O