Dihydroergocristine Mesylate
[CAS# 24730-10-7]

Identification

• Classification: Analytical chemistry >> Standard >> Pharmacopoeia standards and magazine standards
• Name: Dihydroergocristine Mesylate
• Synonyms: St056345; Smr000058240; C13168
• Molecular Formula: C₃₆H₄₅N₅O₈S
• Molecular Weight: 707.84
• CAS Registry Number: 24730-10-7
• EINECS: 246-434-6
• SMILES: [C@]56(O[C@@](NC(=O)[C@@H]1C[C@H]2[C@H](N(C1)C)CC3=C[NH]C4=CC=CC2=C34)(C(=O)N5[C@H](C(=O)N7[C@H]6CCC7)CC8=CC=CC=C8)C(C)C)O.C[S](=O)(=O)O
• InChI: 1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
• InChIKey: SPXACGZWWVIDGR-SPZWACKZSA-N

Properties

• solubility: Soluble to 25 mM in DMSO