U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35F2NO2Si.ClH
Molecular Weight 484.094
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5S,6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-ol, hydrochloride (1:1)

SMILES

Cl.CC(C)[Si](O[C@@H]1CC[C@H]([C@H](O)C2=CC=CN=C12)C3=CC=CC(F)=C3F)(C(C)C)C(C)C

InChI

InChIKey=IWAHVYOEYAIMCZ-CSXXOHPSSA-N
InChI=1S/C25H35F2NO2Si.ClH/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)25(29)20-10-8-14-28-24(20)22;/h7-11,14-17,19,22,25,29H,12-13H2,1-6H3;1H/t19-,22+,25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C25H35F2NO2Si
Molecular Weight 447.6332
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:18:40 GMT 2025
Edited
by admin
on Wed Apr 02 21:18:40 GMT 2025
Record UNII
JZ59LX3Z5L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5H-Cyclohepta[b]pyridin-5-ol, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, hydrochloride (1:1), (5S,6S,9R)-
Preferred Name English
(5S,6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridin-5-ol, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
JZ59LX3Z5L
Created by admin on Wed Apr 02 21:18:40 GMT 2025 , Edited by admin on Wed Apr 02 21:18:40 GMT 2025
PRIMARY
CAS
1397525-83-5
Created by admin on Wed Apr 02 21:18:40 GMT 2025 , Edited by admin on Wed Apr 02 21:18:40 GMT 2025
PRIMARY