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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31N5O4
Molecular Weight 441.5233
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GGTI-2418

SMILES

CC(C)C[C@H](NC(=O)N1CCN(CC2=C(C)N=CN2)C(=O)[C@@H]1CC3=CC=CC=C3)C(O)=O

InChI

InChIKey=COLCNDRDBCLVOC-ICSRJNTNSA-N
InChI=1S/C23H31N5O4/c1-15(2)11-18(22(30)31)26-23(32)28-10-9-27(13-19-16(3)24-14-25-19)21(29)20(28)12-17-7-5-4-6-8-17/h4-8,14-15,18,20H,9-13H2,1-3H3,(H,24,25)(H,26,32)(H,30,31)/t18-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H31N5O4
Molecular Weight 441.5233
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:01:38 UTC 2023
Edited
by admin
on Sat Dec 16 05:01:38 UTC 2023
Record UNII
M67G28K74K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GGTI-2418
Common Name English
PTX-100
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 890422
Created by admin on Sat Dec 16 05:01:38 UTC 2023 , Edited by admin on Sat Dec 16 05:01:38 UTC 2023
FDA ORPHAN DRUG 927422
Created by admin on Sat Dec 16 05:01:38 UTC 2023 , Edited by admin on Sat Dec 16 05:01:38 UTC 2023
Code System Code Type Description
CAS
501010-06-6
Created by admin on Sat Dec 16 05:01:38 UTC 2023 , Edited by admin on Sat Dec 16 05:01:38 UTC 2023
PRIMARY
FDA UNII
M67G28K74K
Created by admin on Sat Dec 16 05:01:38 UTC 2023 , Edited by admin on Sat Dec 16 05:01:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID80198212
Created by admin on Sat Dec 16 05:01:38 UTC 2023 , Edited by admin on Sat Dec 16 05:01:38 UTC 2023
PRIMARY
PUBCHEM
11539477
Created by admin on Sat Dec 16 05:01:38 UTC 2023 , Edited by admin on Sat Dec 16 05:01:38 UTC 2023
PRIMARY
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