Phenazocine, (+)-
PubChem CID: 3048356
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| Compound Synonyms | (+)-Phenazocine, Phenazocine, (+)-, (+)-alpha-Phenazocine, UNII-2G2E2LC4CD, 2G2E2LC4CD, UNII-J0ND6N0AQC, (+/-)-alpha-Phenazocine, Phenazocine [INN:WHO-DD], (+)-.ALPHA.-PHENAZOCINE, Phenazocine [MI], Phenazocine [INN], Phenazocine [WHO-DD], J0ND6N0AQC, 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)-, (2S-(2alpha,6alpha,11R*))-, 64023-93-4, EINECS 204-835-3, Phenazocine cis-(+/-)-form [MI], 2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-6,11-DIMETHYL-3-(2-PHENYLETHYL)-, (2S-(2.ALPHA.,6.ALPHA.,11R*))-, CHEMBL94350, 2'-Hydroxy-5,9-dimethyl-2-phenethyl-6,7-benzomorphan, DTXSID00110017, 58073-76-0, DTXCID3065295, Q27254697 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,9S,13S)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C22H27NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZQHYKVKNPWDQSL-XGRCMKMKSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.525 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.882 |
| Compound Name | Phenazocine, (+)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 321.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 321.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3801768 |
| Inchi | InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22+/m1/s1 |
| Smiles | C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients