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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19ClF3NO2
Molecular Weight 409.829
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-2-(5-CHLORO-2-((4-METHOXYPHENYL)METHYLAMINO)PHENYL)-4-CYCLOPROPYL-1,1,1-TRIFLUOROBUT-3-YN-2-OL

SMILES

COC1=CC=C(CNC2=CC=C(Cl)C=C2[C@@](O)(C#CC3CC3)C(F)(F)F)C=C1

InChI

InChIKey=BXJWOBQJYQHISM-FQEVSTJZSA-N
InChI=1S/C21H19ClF3NO2/c1-28-17-7-4-15(5-8-17)13-26-19-9-6-16(22)12-18(19)20(27,21(23,24)25)11-10-14-2-3-14/h4-9,12,14,26-27H,2-3,13H2,1H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H19ClF3NO2
Molecular Weight 409.829
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:12 GMT 2023
Edited
by admin
on Sat Dec 16 11:07:12 GMT 2023
Record UNII
RUK6A4RQ7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-(5-CHLORO-2-((4-METHOXYPHENYL)METHYLAMINO)PHENYL)-4-CYCLOPROPYL-1,1,1-TRIFLUOROBUT-3-YN-2-OL
Common Name English
BENZENEMETHANOL, 5-CHLORO-.ALPHA.-(2-CYCLOPROPYLETHYNYL)-2-(((4-METHOXYPHENYL)METHYL)AMINO)-.ALPHA.-(TRIFLUOROMETHYL)-, (.ALPHA.S)-
Systematic Name English
(.ALPHA.S)-5-CHLORO-.ALPHA.-(2-CYCLOPROPYLETHYNYL)-2-(((4-METHOXYPHENYL)METHYL)AMINO)-.ALPHA.-(TRIFLUOROMETHYL)BENZENEMETHANOL
Systematic Name English
SD-572
Code English
Code System Code Type Description
FDA UNII
RUK6A4RQ7D
Created by admin on Sat Dec 16 11:07:12 GMT 2023 , Edited by admin on Sat Dec 16 11:07:12 GMT 2023
PRIMARY
CAS
173676-60-3
Created by admin on Sat Dec 16 11:07:12 GMT 2023 , Edited by admin on Sat Dec 16 11:07:12 GMT 2023
PRIMARY
PUBCHEM
9844407
Created by admin on Sat Dec 16 11:07:12 GMT 2023 , Edited by admin on Sat Dec 16 11:07:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY