Basic information
- CAS
122757-59-9- Standard SMILES
O=C(O)CC1CCCC2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)C12- InChIKey
USFMJLOJQLMDAA-UHFFFAOYSA-N- Molecular formula
- C21H21ClFNO2
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1244848
Overview
thromboxane A2 receptor antagonist; RN given refers to (-)-isomer; RN for parent cpd without isomeric designation not avail 8/91; structure given in first source
Names & identifiers
- Preferred name
- L 657925
- IUPAC
- 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid
- English name
- L 657925
- Molecular formula
- C21H21ClFNO2
- Molecular weight
- 373.85
Names & synonyms
122757-59-9L 657925L-657925L657925RefChem:1516582-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid1H-Carbazole-1-acetic acid, 9-[(4-chlorophenyl)methyl]-6-fluoro-2,3,4,4a,9,9a-hexahydro-, (-)-1H-Carbazole-1-acetic acid, 9-((4-chlorophenyl)methyl)-6-fluoro-2,3,4,4a,9,9a-hexahydro-, (-)-PDSP1_000234orb1703230DTXSID50924267PDSP2_000233
Show more names
(-)-9-(4-Chlorobenzyl)-6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-acetic acid
AKOS0407459882-(9-(4-chlorobenzyl)-6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-1-yl)acetic acidCS-0083110T24310{9-[(4-Chlorophenyl)methyl]-6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-1-yl}acetic acid
Database identifiers
- CAS
122757-59-9- PubChem CID
- 129772
- DTXSID
DTXSID50924267
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Chemistry & industry
Applications
DescriptionL 657925 is a thromboxane A2 receptor antagonist.
UsesL 657925 is a potent thromboxane A2 (TXA2) antagonist. L 657925 selectively abolishes ONO 11113-evoked transient increment in [Ca22+][1].
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
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Compound notes
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