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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31FN7O7
Molecular Weight 572.5665
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 1,2,4-TRIAZOLO(4,3-B)PYRIDAZINIUM, 7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1-.BETA.-D-GLUCOPYRANURONOSYL-

SMILES

CCn1c(COc2c(cc3[n+](c(-c4ccccc4F)nn3[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O)n2)C(C)(C)C)ncn1

InChI

InChIKey=ULQVHFNZCFUDCZ-NABGWTBKSA-O
InChI=1S/C26H30FN7O7/c1-5-32-16(28-12-29-32)11-40-23-14(26(2,3)4)10-17-33(31-23)22(13-8-6-7-9-15(13)27)30-34(17)24-20(37)18(35)19(36)21(41-24)25(38)39/h6-10,12,18-21,24,35-37H,5,11H2,1-4H3/p+1/t18-,19-,20+,21-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H32FN7O7
Molecular Weight 573.5744
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 Jun 26 02:22:21 UTC 2021
Edited
by admin
on Sat Jun 26 02:22:21 UTC 2021
Record UNII
02X1GF8X88
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4-TRIAZOLO(4,3-B)PYRIDAZINIUM, 7-(1,1-DIMETHYLETHYL)-6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-1-.BETA.-D-GLUCOPYRANURONOSYL-
Systematic Name English
TPA023 METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
02X1GF8X88
Created by admin on Sat Jun 26 02:22:21 UTC 2021 , Edited by admin on Sat Jun 26 02:22:21 UTC 2021
PRIMARY
CAS
474319-59-0
Created by admin on Sat Jun 26 02:22:21 UTC 2021 , Edited by admin on Sat Jun 26 02:22:21 UTC 2021
PRIMARY
PUBCHEM
9829548
Created by admin on Sat Jun 26 02:22:21 UTC 2021 , Edited by admin on Sat Jun 26 02:22:21 UTC 2021
PRIMARY
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