Norephedrine
PubChem CID: 26934
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| Compound Synonyms | Norephedrine, phenylpropanolamine, (+)-Norephedrine, dl-Norephedrine, (1S,2R)-2-amino-1-phenylpropan-1-ol, d-Norephedrine, Propadrine, 1r,2s-phenylpropylamine, (+)-phenylpropanolamine, 37577-28-9, 14838-15-4, (1s,2r)-norephedrine, d-Phenylpropanolamine, dl-Phenylpropanolamine, CHEBI:36, NSC9920, (+)-Norephedrin, 7875H6443P, Prestwick_388, (+/-)-Phenylpropanolamine, DTXSID4023466, NSC-9920, Norephedrine, (.+-.)-, UNII-7875H6443P, L-Phenyl Propanolamine, SpecPlus_000934, (.+-.)-Norephedrine, Prestwick3_000324, Spectrum2_000516, Spectrum3_001706, Spectrum4_001685, Spectrum5_000330, 1s,2r-phenylpropanolamine, WLN: ZY1&YQR, SCHEMBL26905, (.+-.)-Phenylpropanolamine, BSPBio_000327, BSPBio_003292, KBioGR_001950, (+)-(1s,2r)-norephedrine, (1s,2r)-(-)-norephedrine, BIDD:GT0376, DivK1c_007030, SPECTRUM2300253, SPBio_000471, PHENYLPROPANOLAMINE, D-, BPBio1_000361, CHEMBL2092846, KBio1_001974, KBio3_002512, Benzenemethanol, alpha-(1-aminoethyl)-, (S-(R*,S*))-, Phenylpropanolamine (Norephedrine), DTXSID301313960, PHENYLPROPANOLAMINE, (+)-, (1S,2R)-(+)-Phenylpropanolamine, (1S,2R)-PHENYLPROPANOLAMINE, BDBM50405613, CCG-39586, PDSP1_001348, PDSP2_001332, AKOS027322360, (1S,2R)-(+)-Norephedrine, 98%, SDCCGMLS-0066900.P001, Benzenemethanol, (R*,S*)-(.+-.)-, L-.alpha.-(1-Aminoethyl)benzyl alcohol, NCGC00178157-01, NCGC00178157-02, DL-.alpha.-(1-aminoethyl)benzyl alcohol, Benzyl alcohol, .alpha.-(1-amino-ethyl), (1S,2R)-2-AMINO-1-PHENYLPROPANOL, AB00375975, N0631, NS00080042, DL-.alpha.-hydroxy-.beta.-aminopropylbenzene, (1S,2R)-(+)-2-Amino-1-phenyl-1-propanol, C02343, AB00375975_05, Q413147, (1r,2s)-2-hydroxy-2-phenyl-1-methyl-1-aminoethane, BRD-K27853494-001-02-5, BRD-K27853494-003-04-7, BENZENEMETHANOL, .ALPHA.-((1R)-1-AMINOETHYL)-, (.ALPHA.S)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | O[C@@H]cccccc6))))))[C@H]N)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Phenylpropanolamine is a sympathomimetic that acts mainly by causing release of norepinephrine but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant. -- Pubchem [HMDB] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Enzyme Uniprot Id | P08913 |
| Uniprot Id | P21397, P08913, P35348, P10938, n.a. |
| Iupac Name | (1S,2R)-2-amino-1-phenylpropan-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.8 |
| Superclass | Benzenoids |
| Subclass | Phenylpropanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H13NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLNKOYKMWOXYQA-VXNVDRBHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.32 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 0.97 |
| Synonyms | D-Norephedrine, DL-Norephedrine, DL-Phenylpropanolamine, Hydriatine, l-NOREPHEDRINE, L-Phenyl Propanolamine, Mucorama, Nobese, Norephedrine, Obestat, Phenylpropanolamine, Prestwick_388, Propadrine, L-NOREPHEDRINE, L-Phenyl propanolamine, Phenylpropanolamine hydrochloride, Propagest, Dexatrim, Hydrochloride, phenylpropanolamine, Prolamine, Triaminic DM, ephedrine, nor, l-norephedrine, norephedrine |
| Esol Class | Very soluble |
| Functional Groups | CN, CO |
| Compound Name | Norephedrine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 151.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.21 |
| 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 | -1.5782817636363633 |
| Inchi | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 |
| Smiles | C[C@H]([C@H](C1=CC=CC=C1)O)N |
| 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 Bupleurum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dicksonia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ephedra Distachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ephedra Gerardiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ephedra Lepidosperma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ephedra Likiangensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Ephedra Major (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Ephedra Minuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Ephedra Monosperma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Ephedra Procera (Plant) Rel Props:Source_db:npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Ephedra Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ephedra Regeliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Ephedra Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Eulophia Spectabilis (Plant) Rel Props:Source_db:npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Gymnosporia Emarginata (Plant) Rel Props:Reference:ISBN:9788185042114 - 20. Outgoing r'ship
FOUND_INto/from Gymnosporia Montana (Plant) Rel Props:Reference:ISBN:9788185042114 - 21. Outgoing r'ship
FOUND_INto/from Gymnosporia Senegalensis (Plant) Rel Props:Reference:ISBN:9788185042114 - 22. Outgoing r'ship
FOUND_INto/from Gymnosporia Spinosa (Plant) Rel Props:Reference:ISBN:9788185042114 - 23. Outgoing r'ship
FOUND_INto/from Maytenus Krukovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Mikania Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 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 - 27. Outgoing r'ship
FOUND_INto/from Veronica Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all