BHN
Summary
| Name: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid |
| Synonyms: | N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid |
| Formula: | C20 H24 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 388.414 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.0 | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2O |
| SMILES | CACTVS | 3.370 | OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28) |
| InChIKey | InChI | 1.03 | GRUVVLWKPGIYEG-UHFFFAOYSA-N |
