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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35NO4
Molecular Weight 413.5497
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E)-3-OXO-5-PHENYL-1-PENTEN-1-YL)CYCLOPENTYL)-N-ETHYL-5-HEPTENAMIDE, (5Z)-

SMILES

CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)CCC2=CC=CC=C2

InChI

InChIKey=OZCBJWOYRKMMPF-QWPROEHNSA-N
InChI=1S/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,21-24,28-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t21-,22-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H35NO4
Molecular Weight 413.5497
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:36:11 UTC 2023
Edited
by admin
on Sat Dec 16 08:36:11 UTC 2023
Record UNII
P14259CVZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E)-3-OXO-5-PHENYL-1-PENTEN-1-YL)CYCLOPENTYL)-N-ETHYL-5-HEPTENAMIDE, (5Z)-
Systematic Name English
(5Z)-7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E)-3-OXO-5-PHENYL-1-PENTEN-1-YL)CYCLOPENTYL)-N-ETHYL-5-HEPTENAMIDE
Systematic Name English
BIMATOPROST IMPURITY B
Common Name English
5-HEPTENAMIDE, 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((1E)-3-OXO-5-PHENYL-1-PENTEN-1-YL)CYCLOPENTYL)-N-ETHYL-, (5Z)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501109753
Created by admin on Sat Dec 16 08:36:11 UTC 2023 , Edited by admin on Sat Dec 16 08:36:11 UTC 2023
PRIMARY
PUBCHEM
35028392
Created by admin on Sat Dec 16 08:36:11 UTC 2023 , Edited by admin on Sat Dec 16 08:36:11 UTC 2023
PRIMARY
CAS
1163135-96-3
Created by admin on Sat Dec 16 08:36:11 UTC 2023 , Edited by admin on Sat Dec 16 08:36:11 UTC 2023
PRIMARY
FDA UNII
P14259CVZG
Created by admin on Sat Dec 16 08:36:11 UTC 2023 , Edited by admin on Sat Dec 16 08:36:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY