dihydroergocryptine mesylate Report issue

Small molecule Experimental
ChEMBL Drug Central KEGG MeSH PubChem

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Chemistry

Mol. Mass

577.73

ALogP

2.52

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
  • InChIKey: PBUNVLRHZGSROC-VTIMJTGVSA-N
    InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1743263   ChEMBL
dihydroergocryptine *

CHEMBL3707289   ChEMBL
dihydroergocryptine mesylate

202229IR8Y   NCATS
dihydro-.alpha.-ergocryptine *

Dihydroergocryptine   Wikipedia

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