Adelphan-Esidrex
[CAS# 8064-04-8]

Identification

• Name: Adelphan-Esidrex
• Synonyms: Adelphan-Esidrex; Yohimban-16-Carboxylic Acid, 11,17-Dimethoxy-18-((3,4,5-Trimethoxybenzoyl)Oxy)-, Methyl Ester, (3Beta,16Beta,17Alpha,18Beta,20Alpha)-, Mixt. With 6-Chloro-3,4-Dihydro-2H-1,2,4-Benzothiadiazine-7-Sulfonamide 1,1-Dioxide And 1(2H)-Phthalazinone Hydrazone
• Molecular Formula: C₄₈H₅₆ClN₉O₁₃S₂
• Molecular Weight: 1066.60
• CAS Registry Number: 8064-04-8
• SMILES: [C@@H]16[C@@H](CN4[C@H](C1)C2=C(C3=C([NH]2)C=C(OC)C=C3)CC4)C[C@@H](OC(=O)C5=CC(=C(OC)C(=C5)OC)OC)[C@H](OC)[C@H]6C(OC)=O.C8=C7[S](=O)(=O)NCNC7=CC(=C8[S](=O)(=O)N)Cl.C9=CC=CC%10=C9C(=NN=C%10)NN
• InChI: 1S/C33H40N2O9.C8H8N4.C7H8ClN3O4S2/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;9-11-8-7-4-2-1-3-6(7)5-10-12-8;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-5H,9H2,(H,11,12);1-2,10-11H,3H2,(H2,9,12,13)/t18-,22+,24-,27-,28+,31+;;/m1../s1
• InChIKey: STVQQHRHNAJZRS-IOSAXKQOSA-N

Properties

• Boiling point: 700.1°C at 760 mmHg (Cal.)
• Flash point: 377.2°C (Cal.)