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Norepinephrine

PubChem CID: 439260

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Compound Synonyms norepinephrine, noradrenaline, L-Noradrenaline, 51-41-2, Levarterenol, Arterenol, (R)-Noradrenaline, (-)-Norepinephrine, L-Norepinephrine, Levophed, (-)-NORADRENALINE, (R)-Norepinephrine, L-arterenol, 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol, (-)-Arterenol, Levonorepinephrine, Adrenor, Levonor, Levonoradrenaline, Sympathin E, (R)-(-)-Norepinephrine, Norepirenamine, Noradrenalin, norepinephrinum, Levoarterenol, Noradrenalinum, Norartrinal, Nor-Epirenan, (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, norepinefrina, Levarterenolo, Noradrenalina, Noreinefrina, Nor adrenalin, D-(-)-Noradrenaline, L-3,4-dihydroxyphenylethanolamine, (-)-alpha-(Aminomethyl)protocatechuyl alcohol, l-1-(3,4-Dihydroxyphenyl)-2-aminoethanol, l-2-Amino-1-(3,4-dihydroxyphenyl)ethanol, (-)-(R)-Norepinephrine, Noreinefrina [INN-Spanish], Nor adrenalin (TN), Norepinephrinum [INN-Latin], L-alpha-(aminomethyl)-3,4-dihydroxybenzyl alcohol, 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-, Nor-adrenaline, UNII-X4W3ENH1CV, 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol, EINECS 200-096-6, 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-, NSC-757246, BRN 4231961, DTXSID5023378, Norepinephrine (INN), HSDB 7772, Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, (-)-, X4W3ENH1CV, CHEMBL1437, 51-41-2 (free base), DTXCID203378, CHEBI:18357, 1,2-Benzenediol, 4-((R)-2-amino-1-hydroxyethyl)-, NSC 757246, Levarterenolo [DCIT], Noradrenalina [Italian], Noradrenalin, l-, Noreinefrina (INN-Spanish), NOREPINEPHRINE [INN], Norepinephrinum (INN-Latin), NORADRENALINE (MART.), NORADRENALINE [MART.], d-Arterenol, (1R)-2-AMINO-1-(3,4-DIHYDROXYPHENYL)ETHANOL, 1,2-Benzenediol, 4-((1R)-2-amino-1-hydroxyethyl)-, (+)-Noradrenaline, NOREPINEPHRINE (USP IMPURITY), NOREPINEPHRINE [USP IMPURITY], MFCD00025592, 1,2-BENZENEDIOL, 4-(2-AMINO-1-HYDROXYETHYL)-, (R)-(R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE, ADRENALINE IMPURITY B (EP IMPURITY), ADRENALINE IMPURITY B [EP IMPURITY], Noradrenaline (JP15), ADRENALINE TARTRATE IMPURITY B (EP IMPURITY), ADRENALINE TARTRATE IMPURITY B [EP IMPURITY], (-)-Arterenol free base, Norepinephrine Noradrenalin, noradranalinum, noradrAnaline, Noradrenline, R-norepinephrine, 1-Noradrenaline, DermX, Norepinephrine [INN:BAN:JAN], E5E, (R)-4-(2-Amino-1-hydroxyethyl)benzene-1,2-diol, (-)-Noradrec, (?)-Norepinephrine, 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol, Norepinephrine1530, Spectrum_001009, Noradrenaline (JP18), Spectrum2_001064, Spectrum3_000520, Spectrum4_000078, Spectrum5_001068, Norepinephrine (Standard), bmse000404, 1,2-Benzenediol,4-(2-amino-1-hydroxyethyl)-, NORADRENALINE [JAN], NOREPINEPHRINE [MI], SCHEMBL2609, BSPBio_002079, GTPL505, KBioGR_000635, KBioSS_001489, NOREPINEPHRINE [HSDB], MLS006010883, DivK1c_000230, NOREPINEPHRINE [VANDF], SPECTRUM1500436, SPBio_001048, Levarterenol, Levophed, Arterenol, SGCUT00123, NOREPINEPHRINE [WHO-DD], HMS500L12, KBio1_000230, KBio2_001489, KBio2_004057, KBio2_006625, KBio3_001579, C01CA03, D53D5E3A-2360-4CA9-8031-6C2CD4062FD5, NINDS_000230, 1-3,4-Dihydroxyphenylethanolamine, HMS1920B08, HMS2089E18, HMS2091J08, HMS3887I07, Pharmakon1600-01500436, to_000024, Tox21_301944, BDBM50029051, CCG-40104, HY-13715R, NSC757246, PDSP1_001111, PDSP2_001095, s9507, STK503776, AKOS006345192, AKOS015854572, DB00368, FN34820, SDCCGSBI-0050082.P004, CAS-51-41-2, IDI1_000230, NCGC00159406-03, NCGC00159406-04, NCGC00159406-05, NCGC00159406-06, NCGC00159406-07, NCGC00159406-08, NCGC00159406-09, NCGC00159406-10, NCGC00159406-11, NCGC00159406-17, NCGC00255328-01, AS-56654, HY-13715, SMR000058585, (-)-Norepinephrine, >=98%, crystalline, SBI-0050082.P003, 1-1-(3,4-Dihydroxyphenyl)-2-aminoethanol, 1-2-Amino-1-(3,4-dihydroxyphenyl)ethanol, CS-0007744, ethanol, 2-amino-1-(3,4-dihydroxyphenyl)-, NS00008449, (-)-alpha-(Aminomethyl)protocatechu-yl alcohol, A12589, C00547, D00076, EN300-378087, AB00052424-06, AB00052424_07, AB00052424_08, 1-alpha-(Aminomethyl)-3,4-dihydroxybenzyl alcohol, Q186242, BRD-K87349682-001-04-9, BRD-K87349682-347-02-0, BRD-K87349682-347-03-8, (-)-.ALPHA.-(AMINOMETHYL)-3,4-DIHYDROXYBENZYL ALCOHOL, 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(-)-, Benzyl alcohol, .alpha.-(aminomethyl)-3,4-dihydroxy-, (+)-, 200-096-6, 65277-62-5
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 86.7
Hydrogen Bond Donor Count 4.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCCCC1
Np Classifier Class Phenylethylamines
Deep Smiles NC[C@@H]cccccc6)O))O)))))O
Heavy Atom Count 12.0
Classyfire Class Phenols
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzenediols
Isotope Atom Count 0.0
Molecular Complexity 142.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P27338, P21397, P09172, P21964, P00439, P11086, P32189, P05177, P08913, P18089, O76082, P08588, P07550, P23975, O15245, O15244, O75751, P35348, P35368, P25100, O00445, P13945, Q9Y6W9, P18825, Q9UQ04, Q71UR5, P43140, P18130, P18841, P23944, P15823, n.a., P22909, B0FL73, Q8K4Z4, P26255, P18090, Q28044, P21728, P18901, P61169, P14416, P19328, Q9Y2I1, P54833, P10608, P02545, P46063, P10636, P27695, Q9NUW8, Q9F4F7, Q03164, O97447, P15428, P54132, O75164, Q92830, O15648, O89049, Q9NR56, Q96KQ7, P07378, O15296, P39748, P11473, Q9UBT6, O94782, P25094, Q62666, Q9R0W2, Q9Z0E8, O88446, Q16236, O94925, Q13526, P43220, P14920, Q9Y6L6, Q9NPD5, Q9Y253, P15289, Q9UNA4, P23977, Q01337, Q01338, O95342, P0DTD1, P05412
Iupac Name 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Prediction Hob 1.0
Class Phenols
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT1788, NPT243, NPT222, NPT224, NPT223, NPT227, NPT1789, NPT226, NPT483, NPT47, NPT51, NPT49, NPT50, NPT151, NPT58
Xlogp -1.2
Superclass Benzenoids
Subclass Benzenediols
Gsk 4 400 Rule True
Molecular Formula C8H11NO3
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key SFLSHLFXELFNJZ-QMMMGPOBSA-N
Silicos It Class Soluble
Fcsp3 0.25
Logs -2.835
Rotatable Bond Count 2.0
State Solid
Logd -0.601
Synonyms (-)-Arterenol, (-)-Noradrenaline, (-)-Norepinephrine, (R)-(-)-Norepinephrine, (R)-4-(2-amino-1-Hydroxyethyl)-1,2-benzenediol, (R)-Norepinephrine, 4-[(1R)-2-amino-1-Hydroxyethyl]-1,2-benzenediol, Arterenol, L-Noradrenaline, L-Norepinephrine, Noradrenaline, Norepinefrina, Norepinephrinum, (-)-(R)-Norepinephrine, (-)-alpha-(Aminomethyl)protocatechuyl alcohol, (R)-Noradrenaline, 4-(2-amino-1-Hydroxyethyl)-1,2-benzenediol, Adrenor, Aktamin, L-2-amino-1-(3,4-Dihydroxyphenyl)ethanol, L-3,4-Dihydroxyphenylethanolamine, L-alpha-(Aminomethyl)-3,4-dihydroxybenzyl alcohol, L-Arterenol, Levarterenol, Levoarterenol, Levonor, Levonoradrenaline, Levonorepinephrine, Levophed, Nor-epirenan, Noradrenalin, Norartrinal, Norepirenamine, Sympathin E, l-noradrenaline, neopinephrine (noradrenaline), noradrenaline, norepinephrine, norepinephrine (ne), norepinephrine (noradrenaline)
Esol Class Very soluble
Functional Groups CN, CO, cO
Compound Name Norepinephrine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 169.074
Formal Charge 0.0
Monoisotopic Mass 169.074
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 169.18
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -0.3457159999999999
Inchi InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Smiles C1=CC(=C(C=C1[C@H](CN)O)O)O
Nring 1.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Catechols
Np Classifier Superclass Tyrosine alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Mimosa Pudica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Musa Paradisiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Passiflora Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Phaseolus Coccineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Prunus Domestica (Plant) Rel Props:Reference:ISBN:9788172363178
  • 11. Outgoing r'ship FOUND_IN to/from Sigesbeckia Orientalis (Plant) Rel Props:Source_db:npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:ISBN:9770976605004
  • 13. Outgoing r'ship FOUND_IN to/from Toona Ciliata (Plant) Rel Props:Reference:ISBN:9789327275590
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