Primary record
Px-102
- CAS
- 1268244-88-7
- PubChem CID
- 118374999
- SMILES
- C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)[C@H]5C[C@@H]5C6=CC=C(C=C6)C(=O)O)Cl
- Molecular Formula
- C29H22Cl3NO4
- Molecular Weight
- 554.857
- Exact Mass
- 553.0614
- InChI
- InChI=1S/C29H22Cl3NO4/c30-23-2-1-3-24(31)26(23)27-22(28(37-33-27)16-6-7-16)14-36-18-10-11-19(25(32)12-18)21-13-20(21)15-4-8-17(9-5-15)29(34)35/h1-5,8-12,16,20-21H,6-7,13-14H2,(H,34,35)/t20-,21-/m1/s1
- InChIKey
- XBUXXJUEBFDQHD-NHCUHLMSSA-N
- LogP
- 8.7275
- TPSA
- 72.56
Names and synonyms
- Px-102
- PX20606 trans-isomer
- 6TU6SUZ3BY
- PX-102 (trans-isomer)
- RefChem:930302
- UNII-6TU6SUZ3BY
- 378SU5NO8S
- UNII-378SU5NO8S
- (-)-PX20606 trans isomer
- CHEMBL3822773
- Px-104
- SCHEMBL17087854
- SCHEMBL29366746
- MFCD32644070
- BDBM50185707
- PX 20606
- PX-20606
- 1268244-85-4 (trans-isomer)
- ZINC115372389
- DB15416
- 1268244-88-7
- AC-30349
- PX-102(PX-20606)
- PX-102; PX-20606
- 1268244-85-4
- 2020096-17-5
- W13538
- 4-((1S,2S)-2-(2-CHLORO-4-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)ISOXAZOL-4-YL)METHOXY)PHENYL)CYCLOPROPYL)BENZOIC ACID
- A1010938
- A1140280