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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H38O5
Molecular Weight 394.5448
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Butaprost free acid

SMILES

CCCC1(CCC1)[C@H](O)C\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(O)=O

InChI

InChIKey=PAYNQYXOKJDXAV-NMXQQJQMSA-N
InChI=1S/C23H38O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h7,10,17-18,20-21,25-26H,2-6,8-9,11-16H2,1H3,(H,27,28)/b10-7+/t17-,18-,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H38O5
Molecular Weight 394.5448
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:01:51 UTC 2023
Edited
by admin
on Sat Dec 16 20:01:51 UTC 2023
Record UNII
398VD5L7D2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Butaprost free acid
Common Name English
Cyclopentaneheptanoic acid, 3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)-1-buten-1-yl]-5-oxo-, (1R,2R,3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
35021645
Created by admin on Sat Dec 16 20:01:51 UTC 2023 , Edited by admin on Sat Dec 16 20:01:51 UTC 2023
PRIMARY
FDA UNII
398VD5L7D2
Created by admin on Sat Dec 16 20:01:51 UTC 2023 , Edited by admin on Sat Dec 16 20:01:51 UTC 2023
PRIMARY
CAS
215168-33-5
Created by admin on Sat Dec 16 20:01:51 UTC 2023 , Edited by admin on Sat Dec 16 20:01:51 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
BINDING
Ki
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE