Toreforant Tartrate
Basic information
- CAS
1203558-77-3- Standard SMILES
Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
FWIDBLDKHORZBP-CEAXSRTFSA-N- Molecular formula
- C50H70N12O6
- Average molar mass
- 935.2 g/mol
- Monoisotopic mass
- 934.554128
Overview
See also: Toreforant (has active moiety).
Names & identifiers
- Preferred name
- Toreforant Tartrate
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;bis(5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine)
Names & synonyms
Toreforant tartrateToreforant tartrate [USAN]UNII-HSV17TLD9CHSV17TLD9C1203558-77-3Toreforant tartrate (USAN)TOREFORANT TARTRATE [WHO-DD]JNJ-38518168 HEMITARTRATE2-Pyrimidinamine, 5-(5,7-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-(3-(1-methyl-4-piperidinyl)propyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1)RefChem:190444Bis(5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-(3-(1-methylpiperidin-4-yl)propyl)pyrimidin-2-amine) (2R,3R)-2,3-dihydroxybutanedioateD10736
Show more names
Q27280081
Database identifiers
- CAS
1203558-77-3- PubChem CID
- 44545778
- ChEMBL
CHEMBL3301614- UNII
- HSV17TLD9C
Properties
Computed structural properties
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 15
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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