1. Primary Information
| English name: | Nafamostat mesylate |
| CAS No.: | 82956-11-4 |
| Molecular formula: | C21H25N5O8S2 |
| Molecular weight: | 539.6 g/mol |
| SMILES: | CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N |
| Structural class: | |
| Other identifiers: |
6'-amidino-2-naphthyl 4-guanidinobenzoate 6'-amidino-2-naphthyl 4-guanidinobenzoate, dimethanesulfonate Benzoic acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl ester Benzoic acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dihydrochloride Benzoic acid, 4-((aminoiminomethyl)amino)-, 6-(aminoiminomethyl)-2-naphthalenyl ester, dimethanesulfonate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 560 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | ≥98% | 96 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | ≥98% | 192 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥98% | 344 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 784 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
4.2 InChI
InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)
4.3 InChIKey
SRXKIZXIRHMPFW-UHFFFAOYSA-N
4.4 Canonical SMILES
CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N
4.5 Isomeric SMILES
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