Ephedrine tannateProduct ingredient for Ephedrine
- Name
- Ephedrine tannate
- Drug Entry
- Ephedrine
Ephedrine was first described in western literature in 1888, as a naturally occurring component of the ephedra plant, along with pseudoephedrine.5 Ephedrine acts as both a direct and indirect sympathomimetic. It is an alpha- and beta-adrenergic receptor agonist; however, it also causes the indirect release of norepinephrine from sympathetic neurons, inhibiting norepinephrine reuptake and displacing more norepinephrine from storage vesicles.4,8 Ephedrine is used for its vasoconstrictive, positive chronotropic, and positive inotropic effects.8 Ephedrine and phenylephrine are still used to treat hypotension, but their use in other indications has decreased due to the development of more selective adrenergic agonists.6,7,9 Ephedrine was granted a type 7 FDA Approval on 29 April 2016.9
- Accession Number
- DBSALT002746 (DB14147)
- Structure
- Synonyms
- Not Available
- UNII
- 1M92VL7U3I
- CAS Number
- 1405-94-3
- Weight
- Average: 1866.442
Monoisotopic: 1865.288338301 - Chemical Formula
- C86H67NO47
- InChI Key
- FGPQMDDYPJHDFD-RDVHWUOCSA-N
- InChI
- InChI=1S/C76H52O46.C10H15NO/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-8(11-2)10(12)9-6-4-3-5-7-9/h1-20,52,63-65,76-101H,21H2;3-8,10-12H,1-2H3/t52-,63-,64+,65-,76+;8-,10-/m10/s1
- IUPAC Name
- (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol; 2,3-dihydroxy-5-({[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]oxan-2-yl]methoxy}carbonyl)phenyl 3,4,5-trihydroxybenzoate
- SMILES
- CN[C@@H](C)[C@H](O)C1=CC=CC=C1.OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1
- External Links
- ChemSpider
- 64853911
- Predicted Properties
Property Value Source Water Solubility 0.407 mg/mL ALOGPS logP 4.73 ALOGPS logP 13.51 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 7.61 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 36 Chemaxon Hydrogen Donor Count 25 Chemaxon Polar Surface Area 777.98 Å2 Chemaxon Rotatable Bond Count 34 Chemaxon Refractivity 393.57 m3·mol-1 Chemaxon Polarizability 149.77 Å3 Chemaxon Number of Rings 12 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon