BR7
Summary
| Name: | Bromomemantine |
| Formula: | C12 H20 Br N |
| Formal charge: | 0 |
| Formula weight: | 258.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1r,3s,5R,7S)-3-bromo-5,7-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine |
| OpenEye OEToolkits | 1.9.2 | (5R,7S)-3-bromanyl-5,7-dimethyl-adamantan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | BrC13CC2(CC(N)(CC(C1)(C)C2)C3)C |
| InChI | InChI | 1.03 | InChI=1S/C12H20BrN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3/t9-,10+,11+,12- |
| InChIKey | InChI | 1.03 | UKCUZUGMIJFTKF-IWDIQUIJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]12C[C@@]3(C)CC(N)(C1)CC(Br)(C2)C3 |
| SMILES | CACTVS | 3.385 | C[C]12C[C]3(C)CC(N)(C1)CC(Br)(C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC12CC3(CC(C1)(CC(C2)(C3)Br)N)C |
