Basic information
- CAS
22817-15-8- Standard SMILES
NC(N)=NC(N)=Nc1ccc(C(=O)O)cc1- InChIKey
SQVQYPFROZNYOG-UHFFFAOYSA-N- Molecular formula
- C9H11N5O2
- Average molar mass
- 221.22 g/mol
- Monoisotopic mass
- 221.09127461
Names & identifiers
- Preferred name
- 4-(3-Carbamimidoylguanidino)benzoic acid
- IUPAC
- 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzoic acid
- English name
- 4-{[{[AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]AMINO}BENZOIC ACID HYDROCHLORIDE
- Molecular formula
- C9H11N5O2
- Molecular weight
- 0
Names & synonyms
22817-15-8NSC1252054-(3-Carbamimidoylguanidino)benzoic acidNSC-1252054-((((amino(imino)methyl)amino)(imino)methyl)amino)benzoic acid4-{[{[amino(imino)methyl]amino}(imino)methyl]amino}benzoic acidNafamostat impurity 94NCIStruc1_000808NCIStruc2_0007351-(p-carboxyphenyl) biguanideCHEMBL1742045SCHEMBL28050017
Show more names
DTXSID10945493CCG-37621NCGC00014274NCI125205AKOS024412044NCGC00014274-02NCGC00097383-01NCI60_000590
Database identifiers
- CAS
22817-15-8- PubChem CID
- 52239
- DTXSID
DTXSID10945493- ChEMBL
CHEMBL1742045- EC Number
- 103-988-2
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Suppliers6 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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