Tedisamil Sesquifumarate
Basic information
- CAS
150501-62-5- Standard SMILES
C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1.C1CCC2(C1)C1CN(CC3CC3)CC2CN(CC2CC2)C1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
AZPYPAVFNGFTGB-VQYXCCSOSA-N- Molecular formula
- C50H76N4O12
- Average molar mass
- 925.2 g/mol
- Monoisotopic mass
- 924.54597387
Overview
See also: Tedisamil (has active moiety).
Names & identifiers
- Preferred name
- Tedisamil Sesquifumarate
- IUPAC
- bis(3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]);tris((E)-but-2-enedioic acid)
- English name
- Tedisamil sesquifumarate
- Molecular formula
- (C19H32N2)2.
- Molecular weight
- 404.55
Names & synonyms
Tedisamil sesquifumaratePulziumTedisamil sesquifumarate [USAN]KC-8857 SESQUIFUMARATE150501-62-5Tedisamil sesquifumarate (USAN)Y4HRG433UUTEDISAMIL SESQUIFUMARATE [MI]TEDISAMIL SESQUIFUMARATE [WHO-DD]BIS(3',7'-BIS(CYCLOPROPYLMETHYL)SPIRO(CYCLOPENTANE-1,9'-(3,7)DIAZABICYCLO(3.3.1)NONANE))DIHYDROGEN TRIS((2E-BUT-2-ENEDIOATE)SPIRO(CYCLOPENTANE-1,9'-(3,7)DIAZABICYCLO(3.3.1)NONANE), 3',7'-BIS(CYCLOPROPYLMETHYL)-, (2E)-2-BUTENEDIOATE (2:3)RefChem:187700
Show more names
UNII-Y4HRG433UUorb1738956CHEMBL2107378D06653Q272942553,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane];(E)-but-2-enedioic acid
Database identifiers
- CAS
150501-62-5- PubChem CID
- 11498917
- ChEMBL
CHEMBL2107378- UNII
- Y4HRG433UU
Properties
Computed structural properties
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 14
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- FDA UNII
- 4 HRG433UU · Y4HRG433UU
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Related reactions
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Compound notes
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