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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28F7N5O2
Molecular Weight 575.5216
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-760735F

SMILES

C[C@@H](O[C@H]1OCCN(CC2=C(CN(C)C)N=NN2)[C@H]1C3=CC=C(F)C=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=USRYEHHMJIRICK-ZNZBMKLDSA-N
InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H28F7N5O2
Molecular Weight 575.5216
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:45:00 UTC 2023
Edited
by admin
on Sat Dec 16 13:45:00 UTC 2023
Record UNII
4I4P4I2E8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-760735F
Code English
5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-1H-1,2,3-TRIAZOLE-4-METHANAMINE
Systematic Name English
1H-1,2,3-TRIAZOLE-4-METHANAMINE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
171242-11-8
Created by admin on Sat Dec 16 13:45:00 UTC 2023 , Edited by admin on Sat Dec 16 13:45:00 UTC 2023
PRIMARY
PUBCHEM
9809077
Created by admin on Sat Dec 16 13:45:00 UTC 2023 , Edited by admin on Sat Dec 16 13:45:00 UTC 2023
PRIMARY
FDA UNII
4I4P4I2E8P
Created by admin on Sat Dec 16 13:45:00 UTC 2023 , Edited by admin on Sat Dec 16 13:45:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID90430978
Created by admin on Sat Dec 16 13:45:00 UTC 2023 , Edited by admin on Sat Dec 16 13:45:00 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY