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Details

Stereochemistry ACHIRAL
Molecular Formula C28H30FN3O4
Molecular Weight 491.5539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABBV-744

SMILES

CCNC(=O)C1=CC2=C(N1)C(=O)N(C)C=C2C3=C(OC4=C(C)C=C(F)C=C4C)C=CC(=C3)C(C)(C)O

InChI

InChIKey=OEDSFMUSNZDJFD-UHFFFAOYSA-N
InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)

HIDE SMILES / InChI

Molecular Formula C28H30FN3O4
Molecular Weight 491.5539
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:32:18 UTC 2023
Edited
by admin
on Sat Dec 16 14:32:18 UTC 2023
Record UNII
9MX546E2SF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABBV-744
Code English
N-ETHYL-4-(2-(4-FLUORO-2,6-DIMETHYLPHENOXY)-5-(2-HYDROXYPROPAN-2-YL)PHENYL)-6-METHYL-7-OXO-6,7-DIHYDRO-1H-PYRROLO(2,3-C)PYRIDINE-2-CARBOXAMIDE
Common Name English
1H-PYRROLO(2,3-C)PYRIDINE-2-CARBOXAMIDE, N-ETHYL-4-(2-(4-FLUORO-2,6-DIMETHYLPHENOXY)-5-(1-HYDROXY-1-METHYLETHYL)PHENYL)-6,7-DIHYDRO-6-METHYL-7-OXO-
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C148415
Created by admin on Sat Dec 16 14:32:18 UTC 2023 , Edited by admin on Sat Dec 16 14:32:18 UTC 2023
PRIMARY
PUBCHEM
132010322
Created by admin on Sat Dec 16 14:32:18 UTC 2023 , Edited by admin on Sat Dec 16 14:32:18 UTC 2023
PRIMARY
SMS_ID
300000025428
Created by admin on Sat Dec 16 14:32:18 UTC 2023 , Edited by admin on Sat Dec 16 14:32:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID10102254
Created by admin on Sat Dec 16 14:32:18 UTC 2023 , Edited by admin on Sat Dec 16 14:32:18 UTC 2023
PRIMARY
CAS
2138861-99-9
Created by admin on Sat Dec 16 14:32:18 UTC 2023 , Edited by admin on Sat Dec 16 14:32:18 UTC 2023
PRIMARY
FDA UNII
9MX546E2SF
Created by admin on Sat Dec 16 14:32:18 UTC 2023 , Edited by admin on Sat Dec 16 14:32:18 UTC 2023
PRIMARY
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