1. Primary Information
| English name: | rac Fesoterodine-d14 Fumarate |
| CAS No.: | 1185237-08-4 |
| Molecular formula: | C30H41NO7 |
| Molecular weight: | 541.7 g/mol |
| SMILES: | CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | - | 4080 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[2-[3-[bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate;(E)-but-2-enedioic acid
4.2 InChI
InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/i3D3,4D3,5D3,6D3,19D,20D;
4.3 InChIKey
MWHXMIASLKXGBU-VCQPCXMRSA-N
4.4 Canonical SMILES
CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)OC(=O)C(C)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].C(=C/C(=O)O)\C(=O)O
