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Details

Stereochemistry RACEMIC
Molecular Formula C19H16F6N2O4
Molecular Weight 450.3318
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZM-182345, (R,R)-REL-

SMILES

C[C@H](C[C@@](O)(C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F)C(F)(F)F)C2=CC=CC=C2

InChI

InChIKey=RETGATTXHQWSOT-PIGZYNQJSA-N
InChI=1S/C19H16F6N2O4/c1-11(12-5-3-2-4-6-12)10-17(29,19(23,24)25)16(28)26-13-7-8-15(27(30)31)14(9-13)18(20,21)22/h2-9,11,29H,10H2,1H3,(H,26,28)/t11-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H16F6N2O4
Molecular Weight 450.3318
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:06:03 GMT 2023
Edited
by admin
on Sat Dec 16 19:06:03 GMT 2023
Record UNII
L4NG7XLV9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZM-182345, (R,R)-REL-
Code English
BENZENEBUTANAMIDE, .ALPHA.-HYDROXY-.GAMMA.-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)-.ALPHA.-(TRIFLUOROMETHYL)-, (R*,R*)-
Systematic Name English
ZM-182345, (R,r)-(±)-
Common Name English
Code System Code Type Description
FDA UNII
L4NG7XLV9L
Created by admin on Sat Dec 16 19:06:03 GMT 2023 , Edited by admin on Sat Dec 16 19:06:03 GMT 2023
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PUBCHEM
155884418
Created by admin on Sat Dec 16 19:06:03 GMT 2023 , Edited by admin on Sat Dec 16 19:06:03 GMT 2023
PRIMARY
CAS
115772-96-8
Created by admin on Sat Dec 16 19:06:03 GMT 2023 , Edited by admin on Sat Dec 16 19:06:03 GMT 2023
PRIMARY