CP-105696

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 Search

SMILES

O[C@@H]1[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)COC4=CC(=CC=C14)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 `Mon Mar 31 18:30:00 GMT 2025` Edited by `admin` on `Mon Mar 31 18:30:00 GMT 2025`
Record UNII	Z7354TW4BM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PFIZER 105696

Preferred Name

English

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

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 Mon Mar 31 18:30:00 GMT 2025 , Edited by admin on Mon Mar 31 18:30:00 GMT 2025

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EPA CompTox

DTXSID7047308

Created by admin on Mon Mar 31 18:30:00 GMT 2025 , Edited by admin on Mon Mar 31 18:30:00 GMT 2025

PRIMARY

CAS

158081-99-3

Created by admin on Mon Mar 31 18:30:00 GMT 2025 , Edited by admin on Mon Mar 31 18:30:00 GMT 2025

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FDA UNII

Z7354TW4BM

Created by admin on Mon Mar 31 18:30:00 GMT 2025 , Edited by admin on Mon Mar 31 18:30:00 GMT 2025

PRIMARY

Related Record Type Details


					Z7354TW4BM

CP-105696

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