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Details

Stereochemistry EPIMERIC
Molecular Formula C22H22F3N5O8
Molecular Weight 541.434
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VORICONAZOLE-METHYL-O-GLUCORONIDE

SMILES

O[C@H]1[C@H](OCC(C2=C(F)C=NC=N2)[C@](O)(CN3C=NC=N3)C4=C(F)C=C(F)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=RTNOBOYTQNLUHP-RWUUHHLGSA-N
InChI=1S/C22H22F3N5O8/c23-10-1-2-11(13(24)3-10)22(36,6-30-9-27-8-29-30)12(15-14(25)4-26-7-28-15)5-37-21-18(33)16(31)17(32)19(38-21)20(34)35/h1-4,7-9,12,16-19,21,31-33,36H,5-6H2,(H,34,35)/t12-,16-,17-,18+,19-,21+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22F3N5O8
Molecular Weight 541.434
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
4WJ7E5GA65
Record Status Validated (UNII)
Record Version