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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36F2N2OSi.2ClH
Molecular Weight 519.57
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine dihydrochloride, (5S,6S,9R)-

SMILES

Cl.Cl.CC(C)[Si](O[C@@H]1CC[C@H]([C@H](N)C2=C1N=CC=C2)C3=CC=CC(F)=C3F)(C(C)C)C(C)C

InChI

InChIKey=XVSHWNVACRGINI-JNBCVTSQSA-N
InChI=1S/C25H36F2N2OSi.2ClH/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)24(28)20-10-8-14-29-25(20)22;;/h7-11,14-17,19,22,24H,12-13,28H2,1-6H3;2*1H/t19-,22+,24-;;/m0../s1

HIDE SMILES / InChI

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

Molecular Formula C25H36F2N2OSi
Molecular Weight 446.6484
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 19:23:47 GMT 2025
Edited
by admin
on Wed Apr 02 19:23:47 GMT 2025
Record UNII
LA92PAW5KQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2,3-Difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine dihydrochloride, (5S,6S,9R)-
Systematic Name English
(5S,6S,9R)-6-(2,3-difluorophenyl)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine dihydrochloride
Preferred Name English
5H-Cyclohepta[b]pyridin-5-amine, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, hydrochloride (1:2), (5S,6S,9R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
139270407
Created by admin on Wed Apr 02 19:23:47 GMT 2025 , Edited by admin on Wed Apr 02 19:23:47 GMT 2025
PRIMARY
FDA UNII
LA92PAW5KQ
Created by admin on Wed Apr 02 19:23:47 GMT 2025 , Edited by admin on Wed Apr 02 19:23:47 GMT 2025
PRIMARY
CAS
1373116-04-1
Created by admin on Wed Apr 02 19:23:47 GMT 2025 , Edited by admin on Wed Apr 02 19:23:47 GMT 2025
PRIMARY