1. Primary Information
| English name: | Teneligliptin hydrobromide hydrate |
| CAS No.: | 1572583-29-9 |
| Molecular formula: | C44H67BR5N12O3S2 |
| Molecular weight: | 1275.7 g/mol |
| SMILES: | CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5.CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5.O.Br.Br.Br.Br.Br |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | ≥90% | 992 | 2-8°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrate;pentahydrobromide
4.2 InChI
InChI=1S/2C22H30N6OS.5BrH.H2O/c2*1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27;;;;;;/h2*2-6,13,19-20,23H,7-12,14-16H2,1H3;5*1H;1H2/t2*19-,20-;;;;;;/m00....../s1
4.3 InChIKey
NQPRXLXVOBOTGT-KSLCDFCZSA-N
4.4 Canonical SMILES
CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5.CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5.O.Br.Br.Br.Br.Br
4.5 Isomeric SMILES
CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5.CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5.O.Br.Br.Br.Br.Br
