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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O5
Molecular Weight 408.5714
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BUTAPROST

SMILES

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

InChI

InChIKey=XRISENIKJUKIHD-LHQZMKCDSA-N
InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H40O5
Molecular Weight 408.5714
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 Fri Dec 15 16:19:34 UTC 2023
Edited
by admin
on Fri Dec 15 16:19:34 UTC 2023
Record UNII
HP16WVP23Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTAPROST
INN   USAN  
USAN   INN  
Official Name English
BUTAPROST [USAN]
Common Name English
METHYL (13E,16R)-11.ALPHA.,16-DIHYDROXY-9-OXO-17,17-TRIMETHYLENEPROST-13-EN-1-OATE
Systematic Name English
Methyl (1R,2R,3R)-3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)-1-butenyl]-5-oxocyclopentaneheptanoate
Systematic Name English
BAY-Q-4218
Code English
BAYQ-4218
Code English
butaprost [INN]
Common Name English
TR-4979
Code English
CYCLOPENTANEHEPTANOIC ACID, 3-HYDROXY-2-(4-HYDROXY-4-(1-PROPYLCYCLOBUTYL)-1-BUTENYL)-5-OXO-, METHYL ESTER, (1R-(1.ALPHA.,2.BETA.(1E,4R*),3.ALPHA.))-
Systematic Name English
BAY Q 4218
Code English
Classification Tree Code System Code
NCI_THESAURUS C78568
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID8048993
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
INN
5927
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
CAS
69648-38-0
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
NCI_THESAURUS
C74369
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
PUBCHEM
5311035
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL271896
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
USAN
X-64
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
FDA UNII
HP16WVP23Y
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
SMS_ID
100000088480
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
EVMPD
SUB06008MIG
Created by admin on Fri Dec 15 16:19:34 UTC 2023 , Edited by admin on Fri Dec 15 16:19:34 UTC 2023
PRIMARY
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METABOLITE ACTIVE -> PRODRUG
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ACTIVE MOIETY