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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H9F2N.C8H8O3
Molecular Weight 321.3186
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE R-MANDELATE

SMILES

O[C@@H](C(O)=O)C1=CC=CC=C1.N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3

InChI

InChIKey=GUESUQPLVFMJIT-KLTOLQSASA-N
InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE R-MANDELATE
Common Name English
(ALPHAR)-ALPHA-HYDROXYBENZENEACETIC ACID COMPD. WITH (1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE
Common Name English
TICAGRELOR RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
TH0OSF4LF9
Created by admin on Sat Dec 16 15:39:45 GMT 2023 , Edited by admin on Sat Dec 16 15:39:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID60433193
Created by admin on Sat Dec 16 15:39:45 GMT 2023 , Edited by admin on Sat Dec 16 15:39:45 GMT 2023
PRIMARY
CAS
376608-71-8
Created by admin on Sat Dec 16 15:39:45 GMT 2023 , Edited by admin on Sat Dec 16 15:39:45 GMT 2023
PRIMARY
PUBCHEM
9944965
Created by admin on Sat Dec 16 15:39:45 GMT 2023 , Edited by admin on Sat Dec 16 15:39:45 GMT 2023
PRIMARY
RS_ITEM_NUM
1667188
Created by admin on Sat Dec 16 15:39:45 GMT 2023 , Edited by admin on Sat Dec 16 15:39:45 GMT 2023
PRIMARY
NIH
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