CID 71449802
Basic information
- CAS
864953-34-4- Standard SMILES
COc1cnc(OC)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)([O-])O.[NH3+]CCCC[C@H]([NH3+])C(=O)[O-]- InChIKey
ZBSWJVQMWMTXIV-ZSCHJXSPSA-N- Molecular formula
- C29H39N6O11P
- Average molar mass
- 678.6 g/mol
- Monoisotopic mass
- 678.24144308
Names & identifiers
- Preferred name
- CID 71449802
- IUPAC
- [3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4,7-dimethoxypyrrolo[2,3-c]pyridin-1-yl]methyl hydrogen phosphate;(2S)-2,6-bis(azaniumyl)hexanoate
- English name
- BMS-663749 lysine salt
- Molecular formula
- C29H39N6O11P
- Molecular weight
- 678.64
Names & synonyms
BMS663749 lysineBMS 663749 lysineBMS-663749 lysineBMS-663749 lysine salt
Database identifiers
- CAS
864953-34-4- PubChem CID
- 71449802
Properties
Computed structural properties
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 986
Physicochemical properties
- FDA UNII
- 81 NFT2V315 · 81NFT2V315
Chemistry & industry
Applications
UsesBMS-663749 lysine is a prodrug of an HIV-1 attachment inhibitor with the potential to enhance the delivery of the parent compound following oral administration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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