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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H28O4
Molecular Weight 428.5195
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-105696

SMILES

O[C@@H]1[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)COC4=C1C=CC(=C4)C5(CCCC5)C(O)=O

InChI

InChIKey=KMNLXCBYBKHKSK-BKMJKUGQSA-N
InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H28O4
Molecular Weight 428.5195
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:42 GMT 2023
Edited
by admin
on Fri Dec 15 16:30:42 GMT 2023
Record UNII
Z7354TW4BM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-105696
Common Name English
CYCLOPENTANECARBOXYLIC ACID, 1-(3-((1,1'-BIPHENYL)-4-YLMETHYL)-3,4-DIHYDRO-4-HYDROXY-2H-1-BENZOPYRAN-7-YL)-, (3S-TRANS)-
Systematic Name English
PFIZER 105696
Code English
CYCLOPENTANECARBOXYLIC ACID, 1-((3S,4R)-3-((1,1'-BIPHENYL)-4-YLMETHYL)-3,4-DIHYDRO-4-HYDROXY-2H-1-BENZOPYRAN-7-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9867257
Created by admin on Fri Dec 15 16:30:42 GMT 2023 , Edited by admin on Fri Dec 15 16:30:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID7047308
Created by admin on Fri Dec 15 16:30:42 GMT 2023 , Edited by admin on Fri Dec 15 16:30:42 GMT 2023
PRIMARY
CAS
158081-99-3
Created by admin on Fri Dec 15 16:30:42 GMT 2023 , Edited by admin on Fri Dec 15 16:30:42 GMT 2023
PRIMARY
FDA UNII
Z7354TW4BM
Created by admin on Fri Dec 15 16:30:42 GMT 2023 , Edited by admin on Fri Dec 15 16:30:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY