Mjj8RH7Z3D
Basic information
- CAS
193752-41-9- Standard SMILES
CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C- InChIKey
RSIQCUSPSFSWMQ-XXTFOGKVSA-N- Molecular formula
- C43H64FN5O10
- Average molar mass
- 830 g/mol
- Monoisotopic mass
- 829.46372142
Names & identifiers
- Preferred name
- Mjj8RH7Z3D
- IUPAC
- (1S,2R,5S,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Names & synonyms
HMR-3562MJJ8RH7Z3Dhmr3562UNII-MJJ8RH7Z3D193752-41-9CHEMBL305165(1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-((2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-13-ETHYL-10-FLUORO-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-(4-(4-(3-PYRIDYL)IMIDAZOL-1-YL)BUTYL)-12,15-DIOXA-17-AZABICYCLO(12.3.0)HEPTADECANE-3,9,11,16-TETRONE(3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYL-7-FLUOROOCTAHYDRO-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-1-(4-(4-(3-PYRIDINYL)-1H-IMIDAZOL-1-YL)BUTYL)-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (3AS,4R,7S,9R,10R,11R,13R,15R,15AR)-
Database identifiers
- CAS
193752-41-9- PubChem CID
- 6918484
- ChEMBL
CHEMBL305165- UNII
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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