Mepyramine tannateProduct ingredient for Mepyramine
- Name
- Mepyramine tannate
- Drug Entry
- Mepyramine
Mepyramine, or pyrilamine, targets the H1 receptor. It is a first generation antihistamine. However, it rapidly permeates the brain and so often causes drowsiness as a side effect. It has been found in over-the-counter combination products for colds and menstrual symptoms, but is considered to be an unapproved prescription medication used for cough, cold, or allergic conditions.
- Accession Number
- DBSALT002726
- Structure
Structure for Mepyramine tannate (DBSALT002726)
- Synonyms
- Pyrilamine tannate
- UNII
- A9310LW34B
- CAS Number
- 183969-60-0
- Weight
- Average: 1986.597
Monoisotopic: 1985.357086567 - Chemical Formula
- C93H75N3O47
- InChI Key
- FPPPOGQYQQBHQR-HBNMXAOGSA-N
- InChI
- InChI=1S/C76H52O46.C17H23N3O/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;1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h1-20,52,63-65,76-101H,21H2;4-11H,12-14H2,1-3H3/t52-,63-,64+,65-,76+;/m1./s1
- IUPAC Name
- 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; N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
- SMILES
- COC1=CC=C(CN(CCN(C)C)C2=CC=CC=N2)C=C1.OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C(O)=CC(=C1)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
- 64854302
- 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 38 Chemaxon Refractivity 393.57 m3·mol-1 Chemaxon Polarizability 149.77 Å3 Chemaxon Number of Rings 13 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon