T4U
Summary
| Name: | (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
| Synonyms: | Lorcaserin |
| Formula: | C11 H14 Cl N |
| Formal charge: | 0 |
| Formula weight: | 195.689 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-7-chloranyl-5-methyl-2,3,4,5-tetrahydro-1~{H}-3-benzazepine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2c(CCNCC2C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | XTTZERNUQAFMOF-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CNCCc2ccc(Cl)cc12 |
| SMILES | CACTVS | 3.385 | C[CH]1CNCCc2ccc(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CNCCc2c1cc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CNCCc2c1cc(cc2)Cl |
