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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29FN2O7
Molecular Weight 440.4626
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BI-44847

SMILES

COC1=CC=C(CC2=C(C)N(N=C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)C)C(F)=C1

InChI

InChIKey=AOBLNYCSGWSIPG-YRIDSSQKSA-N
InChI=1S/C21H29FN2O7/c1-10(2)24-11(3)14(7-12-5-6-13(29-4)8-15(12)22)20(23-24)31-21-19(28)18(27)17(26)16(9-25)30-21/h5-6,8,10,16-19,21,25-28H,7,9H2,1-4H3/t16-,17-,18+,19-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29FN2O7
Molecular Weight 440.4626
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:15:43 GMT 2023
Record UNII
43WJ33399D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BI-44847
Common Name English
.BETA.-D-GLUCOPYRANOSIDE,4-((2-FLUORO-4-METHOXYPHENYL)METHYL)- 5-METHYL-1-(1-METHYLETHYL)-1H-PYRAZOL-3-YL
Systematic Name English
BI 44847 [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
10181733
Created by admin on Sat Dec 16 11:15:43 GMT 2023 , Edited by admin on Sat Dec 16 11:15:43 GMT 2023
PRIMARY
CAS
421592-30-5
Created by admin on Sat Dec 16 11:15:43 GMT 2023 , Edited by admin on Sat Dec 16 11:15:43 GMT 2023
PRIMARY
FDA UNII
43WJ33399D
Created by admin on Sat Dec 16 11:15:43 GMT 2023 , Edited by admin on Sat Dec 16 11:15:43 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY