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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34ClF2NOSi
Molecular Weight 466.079
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5R,6S,9R)-5-Chloro-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridine

SMILES

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

InChI

InChIKey=NKQVGYIGDJHNMW-CDNPAEQRSA-N
InChI=1S/C25H34ClF2NOSi/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-18(19-9-7-11-21(27)24(19)28)23(26)20-10-8-14-29-25(20)22/h7-11,14-18,22-23H,12-13H2,1-6H3/t18-,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H34ClF2NOSi
Molecular Weight 466.079
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:21:27 GMT 2025
Edited
by admin
on Wed Apr 02 20:21:27 GMT 2025
Record UNII
HH2MZ9MDC5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5R,6S,9R)-5-Chloro-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-5H-cyclohepta[b]pyridine
Preferred Name English
Code System Code Type Description
FDA UNII
HH2MZ9MDC5
Created by admin on Wed Apr 02 20:21:27 GMT 2025 , Edited by admin on Wed Apr 02 20:21:27 GMT 2025
PRIMARY
CAS
1289024-04-9
Created by admin on Wed Apr 02 20:21:27 GMT 2025 , Edited by admin on Wed Apr 02 20:21:27 GMT 2025
PRIMARY
PUBCHEM
67115927
Created by admin on Wed Apr 02 20:21:27 GMT 2025 , Edited by admin on Wed Apr 02 20:21:27 GMT 2025
PRIMARY