Primary record
Debio-1347 (S)-hydroxysuccinate
- CAS
- 1265231-80-8
- PubChem CID
- 131801095
- SMILES
- CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N.C([C@@H](C(=O)O)O)C(=O)O
- Molecular Formula
- C24H22N6O6
- Molecular Weight
- 490.476
- Exact Mass
- 490.1601
- InChI
- InChI=1S/C20H16N6O.C4H6O5/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18;5-2(4(8)9)1-3(6)7/h2-10,25H,21H2,1H3,(H,23,24);2,5H,1H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
- InChIKey
- NPJXUVSDQSNORN-WNQIDUERSA-N
- LogP
- 2.2581
- TPSA
- 200.21
Names and synonyms
- Debio-1347 (S)-hydroxysuccinate
- UNII-2SMH8D25J8
- 2SMH8D25J8
- RefChem:200374
- orb1986201
- AKOS040751454
- 1265231-80-8
- Butanedioic acid, 2-hydroxy-, (2S)-, compd. with (5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl)-1H-indol-2-ylmethanone (1:1)