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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H42FN7O10
Molecular Weight 655.6724
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-O-(((2R)-3-(2-(5-FLUORO-6-((9AS)-HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-2-METHYL-4-PYRIMIDINYL)HYDRAZINYL)-3-OXO-2-(CYCLOPENTYLMETHYL)PROPYL)FORMYLAMINO)-.BETA.-D-GLUCOPYRANURONIC ACID

SMILES

[H][C@]12COCCN1CCN(C2)C3=C(F)C(NNC(=O)[C@H](CC4CCCC4)CN(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=O)=NC(C)=N3

InChI

InChIKey=KOPKAFARDWEMGN-WFJIVADLSA-N
InChI=1S/C28H42FN7O10/c1-15-30-24(19(29)25(31-15)35-7-6-34-8-9-44-13-18(34)12-35)32-33-26(41)17(10-16-4-2-3-5-16)11-36(14-37)46-28-22(40)20(38)21(39)23(45-28)27(42)43/h14,16-18,20-23,28,38-40H,2-13H2,1H3,(H,33,41)(H,42,43)(H,30,31,32)/t17-,18+,20+,21+,22-,23+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H42FN7O10
Molecular Weight 655.6724
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:34:40 GMT 2023
Edited
by admin
on Sat Dec 16 16:34:40 GMT 2023
Record UNII
PVZ9CON6YJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-O-(((2R)-3-(2-(5-FLUORO-6-((9AS)-HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-2-METHYL-4-PYRIMIDINYL)HYDRAZINYL)-3-OXO-2-(CYCLOPENTYLMETHYL)PROPYL)FORMYLAMINO)-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
GSK1322322 METABOLITE M9
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-O-(((2R)-3-(2-(5-FLUORO-6-((9AS)-HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-2-METHYL-4-PYRIMIDINYL)HYDRAZINYL)-3-OXO-2-(CYCLOPENTYLMETHYL)PROPYL)FORMYLAMINO)-
Common Name English
Code System Code Type Description
PUBCHEM
146675099
Created by admin on Sat Dec 16 16:34:41 GMT 2023 , Edited by admin on Sat Dec 16 16:34:41 GMT 2023
PRIMARY
FDA UNII
PVZ9CON6YJ
Created by admin on Sat Dec 16 16:34:41 GMT 2023 , Edited by admin on Sat Dec 16 16:34:41 GMT 2023
PRIMARY
CAS
1793109-22-4
Created by admin on Sat Dec 16 16:34:41 GMT 2023 , Edited by admin on Sat Dec 16 16:34:41 GMT 2023
PRIMARY
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