Ephedrine
PubChem CID: 9294
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| Compound Synonyms | Ephedrine, l-Ephedrine, (-)-Ephedrine, 299-42-3, Ephedrin, L(-)-Ephedrine, Lexofedrin, Ephedrol, Mandrin, Sanedrine, Fedrin, I-Sedrin, 1-Sedrin, Ephedrine l-form, (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol, Xenadrine, Norephedrine, N-methyl-, Ephedrine, anhydrous, racephedrine, Ephedrital, Ephedrosan, Ephedrotal, Ephedsol, Ephendronal, Ephoxamin, Kratedyn, Manadrin, Vencipon, Efedrin, Zephrol, Nasol, Ephedrine, L-(-)-, HSDB 3072, l-2-Methylamino-1-phenylpropanol, l-alpha-(1-Methylaminoethyl)benzyl alcohol, NSC 8971, EINECS 206-080-5, UNII-GN83C131XS, l-Erythro-2-(methylamino)-1-phenylpropan-1-ol, NSC 170951, Ephedrinum, anhydrous, GN83C131XS, CHEBI:15407, AI3-02761, (-)-alpha-(1-Methylaminoethyl)benzyl alcohol, NSC-8971, NSC-170951, (1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane, Biophedrin, Ephedremal, DTXSID0022985, Eciphin, Ephedral, (1R,2S)-2-methylamino-1-phenylpropan-1-ol, Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,S*))-, EC 206-080-5, (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol, Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (-)-, Sal-Phedrine, EPHEDRINE (MART.), EPHEDRINE [MART.], Ephedrine [USAN:BAN], 1-Hydroxy-2-methylamino-1-phenylpropane, (1R,2S)-(-)-ephedrine, EPHEDRINE (EP MONOGRAPH), EPHEDRINE [EP MONOGRAPH], EPHEDRINE (USP MONOGRAPH), EPHEDRINE [USP MONOGRAPH], (-)-Ephedrine hemisulfate, NSC8971, (L)-EPHEDRINE, (-)-(1R,2S)-Ephedrine, Ephedrine (TN), Ephedrine (USP), 1-2-Methylamino-1-phenylpropanol, Ephedrine Erythro Isomer, 2-Methylamino-1-phenyl-1-propanol, Erythro Isomer of Ephedrine, 1-Phenyl-1-hydroxy-2-methylaminopropane, Efedrina, alpha-Hydroxy-beta-methylaminopropylbenzene, 1-alpha-(1-Methylaminoethyl)benzyl alcohol, alpha-(1-(Methylamino)ethyl)benzenemethanol, NSC170951, alpha-Hydroxy-beta-methyl amine propylbenzene, 1(-)ephedrine, EPHEDRINE [MI], EPHEDRINE [HSDB], EPHEDRINE [VANDF], (1R,2S)-2-methylamino-1-phenyl-propan-1-ol, EPHEDRINE [WHO-DD], SCHEMBL4785, Lopac0_000501, GTPL556, (1r, 2s)-(-)-ephedrine, CHEMBL211456, DTXCID402985, -(1R,2S)-(-)-ephedrine, Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaR)-, HY-B1195, Benzenemethanol, .alpha.-[(1S)-1-(methylamino)ethyl]-, (.alpha.R)-, PDSP2_001327, PDSP2_001330, (1R,2S)-(-)-Ephedrine, 98%, AKOS016011257, Emerphed (ephedrine sulfate injection), EPHEDRINE, ANHYDROUS [WHO-IP], CCG-204592, CS-4802, DB01364, NCGC00162174-01, NCGC00162174-02, SBI-0051362.P003, EPHEDRINUM, ANHYDROUS [WHO-IP LATIN], NS00000382, (1R,2S)-2-Methylamino-1-phenyl-1-propanol, C01575, D00124, (1R*,2S*)-2-methylamino-1-phenyl-1-propanol, (1R,2S)-2-(methylamino)-1-phenyl-1-propanol, AB00375843_06, A820118, Q219626, SR-01000075166, (1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol, SR-01000075166-1, BRD-K45014108-003-01-8, (1R,2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol, (1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol, (R-(R*,S*))-alpha-(1-(Methylamino)ethyl)benzenemethanol, benzene, 1-hydroxy-2-methylamino)propyl- (-((-) ephedrine)-, PSEUDOEPHEDRINE HYDROCHLORIDE IMPURITY A [EP IMPURITY], BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (R-(R*,S*))-, (R-(R*,S*))-.ALPHA.-(1-(METHYLAMINO)ETHYL)BENZENEMETHANOL [WHO-IP], 206-080-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | CN[C@H][C@@H]cccccc6))))))O))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P22303, P06276, P23975, Q05940, P35348, n.a., Q92835, O15357 |
| Iupac Name | (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.9 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H15NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWGRBVOPPLSCSI-WPRPVWTQSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -0.839 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 1.082 |
| Synonyms | (1R,2S)-1-Phenyl-1-hydroxy-2-methylaminopropane, L(-)-Ephedrine, L-Ephedrine, L-Erythro-2-(methylamino)-1-phenylpropan-1-ol, (-)-Ephedrine, Erythro isomer OF ephedrine, Renaudin brand OF ephedrine hydrochloride, Renaudin, ephedrine, Ephedrine renaudin, Sal-phedrine, Sulfate, ephedrine, Ephedrine hydrochloride, Ephedrine sulfate, Sal phedrine, SalPhedrine, Ephedrine erythro isomer, Hydrochloride, ephedrine, Wendt brand OF ephedrine sulfate, Ephedrine, (-)-ephedrine, ephedrine, ephedrine (-), ephedrine,(-), l-ephedrine |
| Esol Class | Very soluble |
| Functional Groups | CNC, CO |
| Compound Name | Ephedrine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 165.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 165.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.6223632000000001 |
| Inchi | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 |
| Smiles | C[C@@H]([C@@H](C1=CC=CC=C1)O)NC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenylpropanes |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Napellus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Carapichea Ipecacuanha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 5. Outgoing r'ship
FOUND_INto/from Cedrus Libani (Plant) Rel Props:Reference:ISBN:9789327275590 - 6. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 9. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Eulophia Spectabilis (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Gymnosporia Emarginata (Plant) Rel Props:Reference:ISBN:9788185042114 - 13. Outgoing r'ship
FOUND_INto/from Gymnosporia Montana (Plant) Rel Props:Reference:ISBN:9788185042114 - 14. Outgoing r'ship
FOUND_INto/from Gymnosporia Senegalensis (Plant) Rel Props:Reference:ISBN:9788185042114 - 15. Outgoing r'ship
FOUND_INto/from Gymnosporia Spinosa (Plant) Rel Props:Reference:ISBN:9788185042114 - 16. Outgoing r'ship
FOUND_INto/from Hamelia Patens (Plant) Rel Props:Reference:ISBN:9770972795006 - 17. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Reference:ISBN:9788172360481 - 18. Outgoing r'ship
FOUND_INto/from Sida Acuta (Plant) Rel Props:Reference:ISBN:9788185042114 - 19. Outgoing r'ship
FOUND_INto/from Sida Cordata (Plant) Rel Props:Reference:ISBN:9788172363178 - 20. Outgoing r'ship
FOUND_INto/from Sida Cordifolia (Plant) Rel Props:Reference:ISBN:9788172361266; ISBN:9788172363178; ISBN:9788183602525 - 21. Outgoing r'ship
FOUND_INto/from Sida Rhombifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 22. Outgoing r'ship
FOUND_INto/from Sida Spinosa (Plant) Rel Props:Reference:ISBN:9788172363178 - 23. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Taxus Baccata (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172361266; ISBN:9788190115124 - 25. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all