carboprost tromethamine (hemabate) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

368.51

ALogP

3.43

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O
  • InChIKey: DLJKPYFALUEJCK-IIELGFQLSA-N
    InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1237122   ChEMBL
carboprost *

CHEMBL1237105   ChEMBL
carboprost tromethamine

7B5032XT6O   NCATS
carboprost *

Carboprost   Wikipedia

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