1.0 2020-04-02 17:48:45 UTC 2025-11-19 03:07:50 UTC FDB097322 Noradrenaline (L-) C41H45O23 905.787 905.234614129 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol norepinephrine C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O[C@H]4O[C@H](O)[C@H](O)[C@H](O)[C@H]4O)[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)C=CC1=CC=C(O)C=C1 InChI=1S/C41H44O23/c1-14-36(63-26(46)7-4-15-2-5-17(42)6-3-15)31(51)35(55)39(58-14)57-13-25-28(48)29(49)33(53)40(62-25)61-24-12-19-22(59-37(24)16-8-20(44)27(47)21(45)9-16)10-18(43)11-23(19)60-41-34(54)30(50)32(52)38(56)64-41/h2-12,14,25,28-36,38-41,48-56H,13H2,1H3,(H4-,42,43,44,45,46,47)/p+1/t14-,25+,28+,29+,30-,31-,32+,33+,34+,35+,36-,38-,39-,40+,41-/m0/s1 KDJOUYPDRNJKNA-GIECZLCYSA-O belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. Catechols Organic compounds Benzenoids Phenols Benzenediols Aromatic homomonocyclic compounds 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Aromatic alcohols Benzene and substituted derivatives Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Secondary alcohols 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Amine Aralkylamine Aromatic alcohol Aromatic homomonocyclic compound Catechol Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol Adrenalines Biogenic amines noradrenaline logp -0.68 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic 8.85 ChemAxon iupac 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol ChemAxon average_mass 905.787 ChemAxon mono_mass 905.234614129 ChemAxon smiles C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O[C@H]4O[C@H](O)[C@H](O)[C@H](O)[C@H]4O)[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1OC(=O)C=CC1=CC=C(O)C=C1 ChemAxon formula C41H45O23 ChemAxon inchi InChI=1S/C41H44O23/c1-14-36(63-26(46)7-4-15-2-5-17(42)6-3-15)31(51)35(55)39(58-14)57-13-25-28(48)29(49)33(53)40(62-25)61-24-12-19-22(59-37(24)16-8-20(44)27(47)21(45)9-16)10-18(43)11-23(19)60-41-34(54)30(50)32(52)38(56)64-41/h2-12,14,25,28-36,38-41,48-56H,13H2,1H3,(H4-,42,43,44,45,46,47)/p+1/t14-,25+,28+,29+,30-,31-,32+,33+,34+,35+,36-,38-,39-,40+,41-/m0/s1 ChemAxon inchikey KDJOUYPDRNJKNA-GIECZLCYSA-O ChemAxon polar_surface_area 86.71 ChemAxon refractivity 44.46 ChemAxon polarizability 16.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1214 Specdb::MsIr 308 Specdb::MsIr 309 Specdb::MsIr 310 Specdb::NmrOneD 1208 Specdb::NmrOneD 1212 Specdb::NmrOneD 142970 Specdb::NmrOneD 142971 Specdb::NmrOneD 142972 Specdb::NmrOneD 142973 Specdb::NmrOneD 142974 Specdb::NmrOneD 142975 Specdb::NmrOneD 142976 Specdb::NmrOneD 142977 Specdb::NmrOneD 142978 Specdb::NmrOneD 142979 Specdb::NmrOneD 142980 Specdb::NmrOneD 142981 Specdb::NmrOneD 142982 Specdb::NmrOneD 142983 Specdb::NmrOneD 142984 Specdb::NmrOneD 142985 Specdb::NmrOneD 142986 Specdb::NmrOneD 142987 Specdb::NmrOneD 142988 Specdb::NmrOneD 142989 Specdb::NmrOneD 166473 Specdb::NmrOneD 166475 Specdb::CMs 1837 Specdb::CMs 5633 Specdb::CMs 27007 Specdb::CMs 31083 Specdb::CMs 37365 Specdb::CMs 131048 Specdb::CMs 138782 Specdb::CMs 1054884 Specdb::CMs 1054886 Specdb::CMs 1054888 Specdb::CMs 1054889 Specdb::CMs 1054891 Specdb::CMs 1054893 Specdb::CMs 1054895 Specdb::CMs 1054897 Specdb::CMs 1054898 Specdb::CMs 1054900 Specdb::CMs 1054902 Specdb::CMs 1054904 Specdb::CMs 1054906 Specdb::CMs 1054908 Specdb::CMs 1054909 Specdb::CMs 1054911 Specdb::CMs 1054913 Specdb::CMs 1054914 Specdb::MsMs 355 Specdb::MsMs 356 Specdb::MsMs 357 Specdb::MsMs 3657 Specdb::MsMs 3658 Specdb::MsMs 3659 Specdb::MsMs 3660 Specdb::MsMs 3661 Specdb::MsMs 3662 Specdb::MsMs 239968 Specdb::MsMs 239969 Specdb::MsMs 239970 Specdb::MsMs 242023 Specdb::MsMs 242024 Specdb::MsMs 242025 Specdb::MsMs 446655 Specdb::MsMs 446656 Specdb::MsMs 446657 Specdb::MsMs 446658 Specdb::MsMs 446659 Specdb::MsMs 2231234 Specdb::MsMs 2231993 Specdb::MsMs 2232220 Specdb::MsMs 2233680 Specdb::MsMs 2235281 HMDB0000216 Banana Type 1 specific Musa acuminata 4641 Milk (Cow) Type 2 specific 0.7 0.7 0.7 uM