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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H30F3N3O5
Molecular Weight 509.519
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KMD-3293

SMILES

C[C@]([H])(Cc1cc2CCN(CCC(=O)O)c2c(c1)C(=N)O)NCCOc3ccccc3OCC(F)(F)F

InChI

InChIKey=VIWKOELUJFEJEQ-MRXNPFEDSA-N
InChI=1S/C25H30F3N3O5/c1-16(30-8-11-35-20-4-2-3-5-21(20)36-15-25(26,27)28)12-17-13-18-6-9-31(10-7-22(32)33)23(18)19(14-17)24(29)34/h2-5,13-14,16,30H,6-12,15H2,1H3,(H2,29,34)(H,32,33)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H30F3N3O5
Molecular Weight 509.519
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 Jun 26 01:39:51 UTC 2021
Edited
by admin
on Sat Jun 26 01:39:51 UTC 2021
Record UNII
M4QEF9744X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KMD-3293
Common Name English
1H-INDOLE-1-PROPANOIC ACID, 7-(AMINOCARBONYL)-2,3-DIHYDRO-5-((2R)-2-((2-(2-(2,2,2-TRIFLUOROETHOXY)PHENOXY)ETHYL)AMINO)PROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91799753
Created by admin on Sat Jun 26 01:39:51 UTC 2021 , Edited by admin on Sat Jun 26 01:39:51 UTC 2021
PRIMARY
FDA UNII
M4QEF9744X
Created by admin on Sat Jun 26 01:39:51 UTC 2021 , Edited by admin on Sat Jun 26 01:39:51 UTC 2021
PRIMARY
CAS
1357252-79-9
Created by admin on Sat Jun 26 01:39:51 UTC 2021 , Edited by admin on Sat Jun 26 01:39:51 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
Major in plasma and urine; S9+NAD mediator; Does not significanly contribute to the efficacy
MAJOR
FECAL; PLASMA; URINE