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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34FN7O2
Molecular Weight 435.5388
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOPENTANEPROPANOIC ACID, .ALPHA.-(AMINOMETHYL)-, 2-(5-FLUORO-6-((9AS)-HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-2-METHYL-4-PYRIMIDINYL)HYDRAZIDE, (.ALPHA.R)-

SMILES

[H][C@]12COCCN1CCN(C2)C3=C(F)C(NNC(=O)[C@@H](CN)CC4CCCC4)=NC(C)=N3

InChI

InChIKey=LORHMWLMKLYWHB-SJORKVTESA-N
InChI=1S/C21H34FN7O2/c1-14-24-19(26-27-21(30)16(11-23)10-15-4-2-3-5-15)18(22)20(25-14)29-7-6-28-8-9-31-13-17(28)12-29/h15-17H,2-13,23H2,1H3,(H,27,30)(H,24,25,26)/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H34FN7O2
Molecular Weight 435.5388
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 16:09:02 GMT 2023
Edited
by admin
on Sat Dec 16 16:09:02 GMT 2023
Record UNII
XFH44PH2KT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPENTANEPROPANOIC ACID, .ALPHA.-(AMINOMETHYL)-, 2-(5-FLUORO-6-((9AS)-HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-2-METHYL-4-PYRIMIDINYL)HYDRAZIDE, (.ALPHA.R)-
Systematic Name English
GSK1322322 METABOLITE M18
Common Name English
Code System Code Type Description
FDA UNII
XFH44PH2KT
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
PRIMARY
PUBCHEM
156596410
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
PRIMARY
CAS
1793109-24-6
Created by admin on Sat Dec 16 16:09:02 GMT 2023 , Edited by admin on Sat Dec 16 16:09:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL