Basic information
- CAS
120908-94-3- Standard SMILES
CCCCCCCCCCCCCCCCCC1(C)OCC(COC(=O)CCCCC[n+]2cccc3ccccc32)O1.[Br-]- InChIKey
FTFOSFBACGPTIP-UHFFFAOYSA-M- Molecular formula
- C37H60BrNO4
- Average molar mass
- 662.8 g/mol
- Monoisotopic mass
- 661.37057
Overview
platelet activating factor antagonist; structure given in first source
Names & identifiers
- Preferred name
- BN 52115
- IUPAC
- (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide
- English name
- BN 52115
- Molecular formula
- C37H60BrNO4
- Molecular weight
- 662.7806
Names & synonyms
BN 52115120908-94-3BN-52115Quinolinium, 1-(6-((2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methoxy)-6-oxohexyl)-, bromideRefChem:1208092-Heptadecyl-2-methyl-4-(6'-(N-quinolinium)hexanoyloxymethyl)-1,3-dioxolan(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate;bromideorb1700982DTXSID20923601AKOS040748033BN52115CS-0133704
Show more names
T268771-{6-[(2-HEPTADECYL-2-METHYL-1,3-DIOXOLAN-4-YL)METHOXY]-6-OXOHEXYL}QUINOLIN-1-IUM BROMIDE
Database identifiers
- CAS
120908-94-3- PubChem CID
- 129306
- DTXSID
DTXSID20923601
Properties
Computed structural properties
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 25
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 687
Chemistry & industry
Applications
UsesBN 52115, a platelet-activating factor antagonist, has demonstrated the ability to mitigate bronchopulmonary changes in vivo.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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