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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N4O3
Molecular Weight 396.4827
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHA-782584

SMILES

CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(O)C=C23)=C1C

InChI

InChIKey=YBNMTJYLJWAMGJ-ATVHPVEESA-N
InChI=1S/C22H28N4O3/c1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28/h7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28)/b17-12-

HIDE SMILES / InChI

Molecular Formula C22H28N4O3
Molecular Weight 396.4827
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 18:10:48 UTC 2019
Edited
by admin
on Tue Oct 22 18:10:48 UTC 2019
Record UNII
4MK76GX29B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHA-782584
Common Name English
SUNITINIB METABOLITE M8
Common Name English
N-(2-DIETHYLAMINOETHYL)-5-((Z)-(5-HYDROXY-2-OXO-INDOLIN-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
Systematic Name English
1H-PYRROLE-3-CARBOXAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-5-((Z)-(1,2-DIHYDRO-5-HYDROXY-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
71540360
Created by admin on Tue Oct 22 18:10:48 UTC 2019 , Edited by admin on Tue Oct 22 18:10:48 UTC 2019
PRIMARY
CAS
1126899-61-3
Created by admin on Tue Oct 22 18:10:48 UTC 2019 , Edited by admin on Tue Oct 22 18:10:48 UTC 2019
PRIMARY
Related Record Type Details
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URINE