U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H24F3N5O4
Molecular Weight 575.5379
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

C[C@@H](N(CC1=CC=CN=C1)C(=O)CC2=CC=C(OC(F)(F)F)C=C2)C3=NC4=NC=CC=C4C(=O)N3C5=CC=C(O)C=C5

InChI

InChIKey=QTVDULQPUXPKEL-LJQANCHMSA-N
InChI=1S/C30H24F3N5O4/c1-19(28-36-27-25(5-3-15-35-27)29(41)38(28)22-8-10-23(39)11-9-22)37(18-21-4-2-14-34-17-21)26(40)16-20-6-12-24(13-7-20)42-30(31,32)33/h2-15,17,19,39H,16,18H2,1H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H24F3N5O4
Molecular Weight 575.5379
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 16:38:33 GMT 2023
Edited
by admin
on Sat Dec 16 16:38:33 GMT 2023
Record UNII
4V0EBS1I32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((1R)-1-(3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-(3-PYRIDINYLMETHYL)-4-(TRIFLUOROMETHOXY)BENZENEACETAMIDE
Systematic Name English
AMG-487 METABOLITE M2
Common Name English
BENZENEACETAMIDE, N-((1R)-1-(3,4-DIHYDRO-3-(4-HYDROXYPHENYL)-4-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)ETHYL)-N-(3-PYRIDINYLMETHYL)-4-(TRIFLUOROMETHOXY)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11757854
Created by admin on Sat Dec 16 16:38:33 GMT 2023 , Edited by admin on Sat Dec 16 16:38:33 GMT 2023
PRIMARY
CAS
752244-91-0
Created by admin on Sat Dec 16 16:38:33 GMT 2023 , Edited by admin on Sat Dec 16 16:38:33 GMT 2023
PRIMARY
FDA UNII
4V0EBS1I32
Created by admin on Sat Dec 16 16:38:33 GMT 2023 , Edited by admin on Sat Dec 16 16:38:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE