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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27N5O2
Molecular Weight 393.4821
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-1330, (S)-

SMILES

CC[C@H](C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(O)C=C4

InChI

InChIKey=FFAQILVGBAELHN-KRWDZBQOSA-N
InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27N5O2
Molecular Weight 393.4821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:00:29 GMT 2023
Edited
by admin
on Sat Dec 16 14:00:29 GMT 2023
Record UNII
59NAJ4WXB2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
T-1330, (S)-
Code English
2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-2-((1S)-1-METHYLPROPYL)-3H-1,2,4-TRIAZOL-3-ONE
Systematic Name English
3H-1,2,4-TRIAZOL-3-ONE, 2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-2-((1S)-1-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
991890
Created by admin on Sat Dec 16 14:00:30 GMT 2023 , Edited by admin on Sat Dec 16 14:00:30 GMT 2023
PRIMARY
CAS
125235-31-6
Created by admin on Sat Dec 16 14:00:30 GMT 2023 , Edited by admin on Sat Dec 16 14:00:30 GMT 2023
PRIMARY
FDA UNII
59NAJ4WXB2
Created by admin on Sat Dec 16 14:00:30 GMT 2023 , Edited by admin on Sat Dec 16 14:00:30 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER