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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O4
Molecular Weight 350.4923
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLINPROST ACID

SMILES

[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])CC(CCCCC(O)=O)=C2

InChI

InChIKey=JANVYOZZTKSZGN-WCAFQOMDSA-N
InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34O4
Molecular Weight 350.4923
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:12:24 UTC 2023
Edited
by admin
on Sat Dec 16 08:12:24 UTC 2023
Record UNII
J2E3T1I1U9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLINPROST ACID
Common Name English
ISOCARBACYCLIN
Common Name English
9-O-METHANOPROSTAGLANDIN I
Common Name English
CLINPROST FREE ACID [MI]
Common Name English
2-PENTALENEPENTANOIC ACID, 1,3A,4,5,6,6A-HEXAHYDRO-5-HYDROXY-6-((1E,3S)-3-HYDROXY-1-OCTENYL)-, (3AS,5R,6R,6AS)-
Systematic Name English
TEI-7165
Code English
(+)-ISOCARBACYCLIN
Common Name English
9(O)-METHANO-.DELTA.6(9)-PROSTAGLANDIN I1
Common Name English
Code System Code Type Description
CAS
99946-24-4
Created by admin on Sat Dec 16 08:12:24 UTC 2023 , Edited by admin on Sat Dec 16 08:12:24 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
88911-35-7
Created by admin on Sat Dec 16 08:12:24 UTC 2023 , Edited by admin on Sat Dec 16 08:12:24 UTC 2023
PRIMARY
FDA UNII
J2E3T1I1U9
Created by admin on Sat Dec 16 08:12:24 UTC 2023 , Edited by admin on Sat Dec 16 08:12:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID70237407
Created by admin on Sat Dec 16 08:12:24 UTC 2023 , Edited by admin on Sat Dec 16 08:12:24 UTC 2023
PRIMARY
MERCK INDEX
m1075
Created by admin on Sat Dec 16 08:12:24 UTC 2023 , Edited by admin on Sat Dec 16 08:12:24 UTC 2023
PRIMARY Merck Index
PUBCHEM
5311244
Created by admin on Sat Dec 16 08:12:24 UTC 2023 , Edited by admin on Sat Dec 16 08:12:24 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
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PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY