Phenylephrine
PubChem CID: 6041
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | phenylephrine, 59-42-7, L-Phenylephrine, Metasynephrine, m-Oxedrine, m-Sympatol, Metasympatol, Neosynephrine, Mezaton, m-Sympathol, m-Synephrine, Metaoxedrine, Mesatone, Metaoxedrin, Visadron, Mesaton, Isophrin, Fenilefrina, Mesatonum, R(-)-Phenylephrine, Metaoxedrinum, Phenylephrinum, m-Methylaminoethanolphenol, 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol, Neo-Synephrine, Ah-Chew, Isophrim, R(-)-Mezaton, Ak-dilate, (R)-phenylephrine, Phenylephrine, l-, (-)-phenylephrine, l-(3-Hydroxyphenyl)-N-methylethanolamine, Phenylephrine Minims, Cyclomydril, Hemorid, Fenilefrina [INN-Spanish], Alcon Efrin, Phenylephrinum [INN-Latin], Dionephrine, (-)-m-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol, Isopto Frin, Phenylephrine, (r)-, l-1-(m-Hydroxyphenyl)-2-methylaminoethanol, Prefrin Liquifilm, CHEBI:8093, Meta-synephrine, (R)-3-(1-hydroxy-2-(methylamino)ethyl)phenol, Duo-Medihaler, HSDB 3383, EINECS 200-424-8, UNII-1WS297W6MV, 1WS297W6MV, CCRIS 8464, Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, (R)-, Phenylephrine (INN), (R)-(-)-phenylephrine, R-PHENYLEPHRINE, AI3-02402, l-m-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol, AB-101 (PHENYLEPHRINE), l-alpha-Hydroxy-beta-methylamino-3-hydroxy-L-ethylbenzene, Benzyl alcohol, m-hydroxy-alpha-((methylamino)methyl)-, (-)-, J8.601K, DTXSID9023465, EC 200-424-8, Spersaphrine, Dilatair, Doktors, Duration, Neofrin, Ocugestrin, Phenoptic, Benzenemethanol, 3-hydroxy-.alpha.-[(methylamino)methyl]-, (R)-, Ak-nefrin, I-Phrine, Fenilefrina (INN-Spanish), PHENYLEPHRINE [INN], Phenylephrinum (INN-Latin), Nostril Spray Pump, Phenylephrine [INN:BAN], Minims Phenylephrine, PHENYLEPHRINE (MART.), PHENYLEPHRINE [MART.], (-)-1-(3-HYDROXYPHENYL)-2-METHYLAMINOETHANOL, PHENYLEPHRINE (EP IMPURITY), PHENYLEPHRINE [EP IMPURITY], Nostril Spray Pump Mild, PHENYLEPHRINE (EP MONOGRAPH), PHENYLEPHRINE [EP MONOGRAPH], Alconefrin Nasal Drops 12, Alconefrin Nasal Drops 25, Alconefrin Nasal Drops 50, Alconefrin Nasal Spray 25, Neo-Synephrine Nasal Drops, Neo-Synephrine Nasal Jelly, Neo-Synephrine Nasal Spray, Ocu-Phrin Sterile Eye Drops, (-)-m-Oxedrine, Relief Eye Drops for Red Eyes, 3-((1R)-1-hydroxy-2-(methylamino)ethyl)phenol, Phenylephrine Minims (TN), phenylene, Phenylephrine, (1R)-1-(3-Hydroxyphenyl)-2-(methylamino)ethanol, MFCD00044749, Mydfrin (Salt/Mix), Nostril (Salt/Mix), Prefrin (Salt/Mix), Adrianol (Salt/Mix), Neophryn (Salt/Mix), Biomydrin (Salt/Mix), R-(-)-Phenylephrine, Spectrum_001101, Ak-dilate (Salt/Mix), Ak-nefrin (Salt/Mix), Phenylephrine (Standard), Alcon efrin (Salt/Mix), Spectrum2_001280, Spectrum3_000770, Spectrum4_000967, Spectrum5_001411, Lopac-P-6126, PHENYLEPHRINE [MI], SCHEMBL4711, CHEMBL1215, PHENYLEPHRINE [HSDB], Lopac0_000920, BSPBio_002420, GTPL485, KBioGR_001313, KBioSS_001581, PHENYLEPHRINE [VANDF], BIDD:GT0157, DivK1c_000597, SPBio_001280, Benzyl alcohol, m-hydroxy-.alpha.-((methylamino)methyl)-, (-)-, PHENYLEPHRINE [WHO-DD], (R)-2-Hydroxy-2-(3-hydroxyphenyl)-N-methylethylamine, component of Entex (Salt/Mix), DTXCID903465, component of Relief (Salt/Mix), component of Comhist (Salt/Mix), component of Demazin (Salt/Mix), HY-B0769R, KBio1_000597, KBio2_001581, KBio2_004149, KBio2_006717, KBio3_001640, C01CA06, R01AA04, R01AB01, R01BA03, S01FB01, S01GA05, component of Vasosulf (Salt/Mix), component of Zincfrin (Salt/Mix), NINDS_000597, AAA05942, component of Cerose dm (Salt/Mix), component of Prefrin-a (Salt/Mix), HY-B0769, component of Cyclomydril (Salt/Mix), BDBM50067212, Neo-Synephrine Pediatric Nasal Drops, PDSP1_001108, PDSP2_001092, component of Decongestant (Salt/Mix), component of Dristan cold (Salt/Mix), AKOS006282042, CCG-205002, CS-6187, DB00388, SDCCGSBI-0050895.P005, component of Histalet forte (Salt/Mix), component of Ru-tuss liquid (Salt/Mix), IDI1_000597, component of Ru-tuss tablets (Salt/Mix), NCGC00015825-01, NCGC00015825-02, NCGC00024257-03, NCGC00024257-05, NCGC00024257-06, NCGC00024257-07, NCGC00024257-19, (R)-(-)-Phenylephrine, L-Phenylephrine, AS-13635, component of Hycomine compound (Salt/Mix), SBI-0050895.P004, component of Dristan nasal mist (Salt/Mix), NS00008779, P0395, 3-[(1R)-1-hydroxy-2-methylaminoethyl]phenol, C07441, D08365, EN300-160202, AB00053522_11, AB00053522_12, 3-[1-Hydroxy-2-(methylamino)ethyl]phenol, (R)-, AT-057/40243664, Q421910, BRD-K73381542-003-22-6, BRD-K73381542-003-23-4, BRD-K73381542-003-24-2, (-)-m-Hydroxy-.alpha.-(methylaminomethyl)benzyl alcohol, l-m-Hydroxy-.alpha.-((methylamino)methyl)benzyl alcohol, Z1198723489, (R)-3-Hydroxy-.alpha.-[(methylamino)methyl]benzenemethanol, (-)-3 HYDROXY-alpha-((METHYLAMINO)METHYL)BENZENEMETHANOL, (alphar)-3-hydroxy-alpha-[(methylamino)methyl]benzenemethanol, 3-[(1R)-1-Hydroxy-2-(methylamino)ethyl]phenol, AldrichCPR, l-.alpha.-Hydroxy-.beta.-methylamino-3-hydroxy-l-ethylbenzene, (-)-3 HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)BENZENEMETHANOL, Benzenemethanol, 3-hydroxy-a-[(methylamino)methyl]-, (.alpha.R)-, 1228015-39-1, 200-424-8 |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Description | An alpha-adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent (PubChem). Phenylephrine is used as a decongestant, available as an oral medicine or as a nasal spray. Phenylephrine is not the most common over-the-counter (OTC) decongestant (wikipedia) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P08913, P18089 |
| Uniprot Id | n.a., P43140, P18130, P18841, P23944, P35368, P25100, P35348, P15823, P22909, P18089, P13945, P18090, Q01337, Q72547, P19838, P51151, P16473, Q16665, P21728, O89049, P08913, P18825, G3HDX1, P0DTD1 |
| Iupac Name | 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT1788, NPT163, NPT537, NPT210, NPT211, NPT1789, NPT222, NPT224 |
| Xlogp | -0.3 |
| Molecular Formula | C9H13NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SONNWYBIRXJNDC-VIFPVBQESA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.876 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -0.028 |
| Synonyms | (-)-m-Hydroxy-a-(methylaminomethyl)benzyl alcohol, (-)-m-Hydroxy-alpha-(methylaminomethyl)benzyl alcohol, (-)-m-Hydroxy-α-(methylaminomethyl)benzyl alcohol, Adrianol, Ak-Dilate, Ak-Nefrin, Alcon efrin, Alconefrin Nasal Drops 12, Alconefrin Nasal Drops 25, Alconefrin Nasal Drops 50, Alconefrin Nasal Spray 25, Biomydrin, Dilatair, Dionephrine, Doktors, Duration, Fenilefrina, I-Phrine, Isophrim, Isophrin, Isopto Frin, L-(3-Hydroxyphenyl)-N-methylethanolamine, m-Methylaminoethanolphenol, m-Oxedrine, m-Sympathol, m-Sympatol, m-Synephrine, Mesaton, Mesatone, Mesatonum, Metaoxedrin, Metaoxedrine, Metaoxedrinum, Metasympatol, Metasynephrine, Mezaton, Minims Phenylephrine, Mydfrin, Neo-Synephrine, Neo-Synephrine Nasal Drops, Neo-Synephrine Nasal Jelly, Neo-Synephrine Nasal Spray, Neo-Synephrine Pediatric Nasal Drops, Neofrin, Neophryn, Neosynephrine, Nostril, Nostril Spray Pump, Nostril Spray Pump Mild, Ocu-Phrin Sterile Eye Drops, Ocu-Phrin Sterile Ophthalmic Solution, Ocugestrin, Phenoptic, Phenylephrinum, Prefrin, Prefrin Liquifilm, Pyracort D, R(-)-Mezaton, R(-)-Phenylephrine, Relief Eye Drops for Red Eyes, Rhinall, Spersaphrine, Vicks Sinex, Visadron |
| Compound Name | Phenylephrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 167.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 167.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 167.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8533895999999999 |
| Inchi | InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 |
| Smiles | CNC[C@@H](C1=CC(=CC=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all