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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H36O3
Molecular Weight 348.5194
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CARBOCYCLIC THROMBOXANE A2

SMILES

CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O

InChI

InChIKey=ZIWNJZLXPXFNGN-JJPTUHNDSA-N
InChI=1S/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H36O3
Molecular Weight 348.5194
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:48 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:48 GMT 2023
Record UNII
0K593AJ3OL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBOCYCLIC THROMBOXANE A2
Common Name English
THROMBOXANE A2, CARBOCYCLIC
Common Name English
CTA2
Common Name English
5-HEPTENOIC ACID, 7-((2S,3R)-3-((1E,3S)-3-HYDROXY-1-OCTEN-1-YL)BICYCLO(3.1.1)HEPT-2-YL)-, (5Z)-
Systematic Name English
CARBOCYCLIC TXA2
Common Name English
Code System Code Type Description
FDA UNII
0K593AJ3OL
Created by admin on Sat Dec 16 18:34:48 GMT 2023 , Edited by admin on Sat Dec 16 18:34:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID90995350
Created by admin on Sat Dec 16 18:34:48 GMT 2023 , Edited by admin on Sat Dec 16 18:34:48 GMT 2023
PRIMARY
CAS
74034-56-3
Created by admin on Sat Dec 16 18:34:48 GMT 2023 , Edited by admin on Sat Dec 16 18:34:48 GMT 2023
PRIMARY
CHEBI
139043
Created by admin on Sat Dec 16 18:34:48 GMT 2023 , Edited by admin on Sat Dec 16 18:34:48 GMT 2023
PRIMARY