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Details

Stereochemistry RACEMIC
Molecular Formula C22H32O4
Molecular Weight 360.4871
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXOPROSTOL

SMILES

OCCCCCCC[C@@H]1[C@@H](CCC(=O)COC2=CC=CC=C2)CCC1=O

InChI

InChIKey=CQGDJYVHVNYIMQ-GHTZIAJQSA-N
InChI=1S/C22H32O4/c23-16-8-3-1-2-7-11-21-18(13-15-22(21)25)12-14-19(24)17-26-20-9-5-4-6-10-20/h4-6,9-10,18,21,23H,1-3,7-8,11-17H2/t18-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H32O4
Molecular Weight 360.4871
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:59:44 GMT 2023
Edited
by admin
on Fri Dec 15 15:59:44 GMT 2023
Record UNII
53C97244OY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXOPROSTOL
INN  
INN  
Official Name English
(±)-TRANS-2-(7-HYDROXYHEPTYL)-3-(3-OXO-4-PHENOXYBUTYL)CYCLOPENTANONE
Systematic Name English
oxoprostol [INN]
Common Name English
M&B 33153
Code English
M&B-33153
Code English
Classification Tree Code System Code
NCI_THESAURUS C78568
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
NCI_THESAURUS C29701
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
Code System Code Type Description
EVMPD
SUB09552MIG
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
NCI_THESAURUS
C73189
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
PUBCHEM
71981
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
274-062-4
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID401024453
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
ChEMBL
CHEMBL2218886
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
INN
4949
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
FDA UNII
53C97244OY
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
CAS
69648-40-4
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
SMS_ID
100000083094
Created by admin on Fri Dec 15 15:59:44 GMT 2023 , Edited by admin on Fri Dec 15 15:59:44 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY