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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H28F3N5O5
Molecular Weight 619.5904
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((1R)-1-(3-(4-ETHOXYPHENYL)-3,4-DIHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-((1-OXIDO-3-PYRIDINYL)METHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE

SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CN=C3N=C2[C@@H](C)N(CC4=CC=C[N+]([O-])=C4)C(=O)CC5=CC=C(OC(F)(F)F)C=C5

InChI

InChIKey=DMBGCHREERYYSP-OAQYLSRUSA-N
InChI=1S/C32H28F3N5O5/c1-3-44-25-14-10-24(11-15-25)40-30(37-29-27(31(40)42)7-4-16-36-29)21(2)39(20-23-6-5-17-38(43)19-23)28(41)18-22-8-12-26(13-9-22)45-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H28F3N5O5
Molecular Weight 619.5904
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 16:34:20 UTC 2023
Edited
by admin
on Sat Dec 16 16:34:20 UTC 2023
Record UNII
FN2HYI3FM5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((1R)-1-(3-(4-ETHOXYPHENYL)-3,4-DIHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-((1-OXIDO-3-PYRIDINYL)METHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE
Systematic Name English
AMG-487 METABOLITE M1
Common Name English
BENZENEACETAMIDE, N-((1R)-1-(3-(4-ETHOXYPHENYL)-3,4-DIHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-((1-OXIDO-3-PYRIDINYL)METHYL)-4-(TRIFLUOROMETHOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
FN2HYI3FM5
Created by admin on Sat Dec 16 16:34:21 UTC 2023 , Edited by admin on Sat Dec 16 16:34:21 UTC 2023
PRIMARY
CAS
752244-90-9
Created by admin on Sat Dec 16 16:34:21 UTC 2023 , Edited by admin on Sat Dec 16 16:34:21 UTC 2023
PRIMARY
PUBCHEM
9938965
Created by admin on Sat Dec 16 16:34:21 UTC 2023 , Edited by admin on Sat Dec 16 16:34:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE