Names and Identifiers

• • ERGOCRISTINE
  • 6’,18-trione,12’-hydroxy-2’-(1-methylethyl)-5’-(phenylmethyl)-ergotaman-3
  • ergocrystine
  • 12μ-Hydroxy-2μ-(1-methylethyl)-5μ-(phenylmethyl)ergotaman-3μ,6μ,18μ-trione
  • 12'-Hydroxy-2'-isopropyl-5'α-benzylergotaman-3',6',18-trione
  • 5'-benzyl-12'-hydroxy-2'-isopropyl-ergotamane-18,3',6'-trione
  • 12′-Hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18′-trione
  • (5'alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
  • NSC 93743
  • Ergocristine phyproof(R) Reference Substance
  • +expand
• • Inchi： 1S/C35H39N5O5/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/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1
  • InChI Key： HEFIYUQVAZFDEE-MKTPKCENSA-N
  • SMILES： O1[C@](C(C)C)(C(N2[C@@H](CC3C=CC=CC=3)C(N3CCC[C@H]3[C@]12O)=O)=O)NC([C@@H]1C=C2C3C=CC=C4C=3C(=CN4)C[C@H]2N(C)C1)=O

Computed Properties

Experimental Properties