Primary record
Cadisegliatin
- CAS
- 859525-02-3
- PubChem CID
- 54673176
- SMILES
- CCCOC1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)SCC(=O)O
- Molecular Formula
- C21H33N3O4S2
- Molecular Weight
- 455.646
- Exact Mass
- 455.1912
- InChI
- InChI=1S/C21H33N3O4S2/c1-2-12-28-17-10-8-16(9-11-17)24(15-6-4-3-5-7-15)21(27)23-20-22-13-19(30-20)29-14-18(25)26/h13,15-17H,2-12,14H2,1H3,(H,25,26)(H,22,23,27)
- InChIKey
- HPGJSAAUJGAMLV-UHFFFAOYSA-N
- LogP
- 5.2242
- TPSA
- 91.76
Names and synonyms
- Cadisegliatin
- Cadisegliatina
- Cadisegliatine
- Cadisegliatin [USAN]
- cadisegliatin [INN]
- TTP399
- Cadisegliatin (USAN)
- 98S8SH8UNF
- UNII-98S8SH8UNF
- TTP-399
- NN9108
- 859525-02-3
- SCHEMBL999940
- SCHEMBL999941
- NNC 80-3315
- orb1687222
- SCHEMBL2648148
- CHEMBL5095262
- TTP-00223399
- HPGJSAAUJGAMLV-CALCHBBNSA-N
- HPGJSAAUJGAMLV-QAQDUYKDSA-N
- WHO 12146
- DTXSID701359502
- GLXC-25387
- NN-9108
- ZINC115001082
- ZINC149397570
- GK1-399
- NNC 0080-0000-3315
- DA-69337