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
ChemSpider
64853911
Predicted Properties
PropertyValueSource
Water Solubility0.407 mg/mLALOGPS
logP4.73ALOGPS
logP13.51Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)7.61Chemaxon
pKa (Strongest Basic)-4.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count36Chemaxon
Hydrogen Donor Count25Chemaxon
Polar Surface Area777.98 Å2Chemaxon
Rotatable Bond Count34Chemaxon
Refractivity393.57 m3·mol-1Chemaxon
Polarizability149.77 Å3Chemaxon
Number of Rings12Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon