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Details

Stereochemistry RACEMIC
Molecular Formula C23H22F2N4O4
Molecular Weight 456.442
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BMY-21950 FREE ACID, (±)-

SMILES

CN1N=NN=C1C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3

InChI

InChIKey=HPFIYXJJZZWEPC-MMKWGKFASA-N
InChI=1S/C23H22F2N4O4/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/b11-10+/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H22F2N4O4
Molecular Weight 456.442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:40:22 UTC 2023
Edited
by admin
on Sat Dec 16 13:40:22 UTC 2023
Record UNII
LY9HL83FI2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMY-21950 FREE ACID, (±)-
Code English
BMY-21950, (±)-
Code English
6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, (3R,5S,6E)-REL-
Systematic Name English
BMS180431
Code English
6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, (R*,S*-(E))-
Common Name English
BMS-180431
Code English
(±)-BMY-21950
Code English
6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, (R*,S*-(E))-(±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6442423
Created by admin on Sat Dec 16 13:40:23 UTC 2023 , Edited by admin on Sat Dec 16 13:40:23 UTC 2023
PRIMARY
FDA UNII
LY9HL83FI2
Created by admin on Sat Dec 16 13:40:23 UTC 2023 , Edited by admin on Sat Dec 16 13:40:23 UTC 2023
PRIMARY
CAS
129829-03-4
Created by admin on Sat Dec 16 13:40:23 UTC 2023 , Edited by admin on Sat Dec 16 13:40:23 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE ENANTIOMER->RACEMATE
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