1. Primary Information
| English name: | Chelidonine, hydrochloride |
| CAS No.: | 4312-31-6 |
| Molecular formula: | C20H20ClNO5 |
| Molecular weight: | 389.8 g/mol |
| SMILES: | CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6.Cl |
| Structural class: | |
| Other identifiers: |
chelidonine chelidonine bisulfate chelidonine hydrochloride chelidonine sulfate chelidonine tartrate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥90% | 1344 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrochloride
4.2 InChI
InChI=1S/C20H19NO5.ClH/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21;/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3;1H/t14-,18-,19+;/m0./s1
4.3 InChIKey
LVURMIFHBFKWNP-PHANBDLMSA-N
4.4 Canonical SMILES
CN1CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6.Cl
4.5 Isomeric SMILES
CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6.Cl
