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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H34FN7O3
Molecular Weight 463.5489
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOPENTANEPROPANOIC ACID, .ALPHA.-((FORMYLAMINO)METHYL)-, 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](CNC=O)CC4CCCC4)=NC(C)=N3

InChI

InChIKey=OWNIRWPOJKBVTC-MSOLQXFVSA-N
InChI=1S/C22H34FN7O3/c1-15-25-20(27-28-22(32)17(11-24-14-31)10-16-4-2-3-5-16)19(23)21(26-15)30-7-6-29-8-9-33-13-18(29)12-30/h14,16-18H,2-13H2,1H3,(H,24,31)(H,28,32)(H,25,26,27)/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H34FN7O3
Molecular Weight 463.5489
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 16:26:45 GMT 2023
Edited
by admin
on Sat Dec 16 16:26:45 GMT 2023
Record UNII
VZ8WF75U6P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPENTANEPROPANOIC ACID, .ALPHA.-((FORMYLAMINO)METHYL)-, 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 M37
Common Name English
Code System Code Type Description
CAS
1788896-37-6
Created by admin on Sat Dec 16 16:26:45 GMT 2023 , Edited by admin on Sat Dec 16 16:26:45 GMT 2023
PRIMARY
FDA UNII
VZ8WF75U6P
Created by admin on Sat Dec 16 16:26:45 GMT 2023 , Edited by admin on Sat Dec 16 16:26:45 GMT 2023
PRIMARY
PUBCHEM
156028095
Created by admin on Sat Dec 16 16:26:45 GMT 2023 , Edited by admin on Sat Dec 16 16:26:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE