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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26N4O3
Molecular Weight 454.5214
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL RUBOXISTAURIN

SMILES

CNC[C@]1([H])CCn2cc(c3ccccc32)C4=C(c5cn(CCO1)c6ccccc56)C(=O)N=C4O

InChI

InChIKey=ZEYTZKVCOZMUKL-KRWDZBQOSA-N
InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H26N4O3
Molecular Weight 454.5214
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 Fri Jun 25 20:32:48 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:48 UTC 2021
Record UNII
M2BQ56K56V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL RUBOXISTAURIN
Common Name English
LY 338522
Common Name English
LY338522
Common Name English
(9S)-6,7,10,11-TETRAHYDRO-9-((METHYLAMINO)METHYL)-9H,18H-5,21:12,17-DIMETHENODIBENZO(E,K)PYRROLO(3,4-H)(1,4,13)OXADIAZACYCLOHEXADECINE-18,20(19H)-DIONE
Systematic Name English
9H,18H-5,21:12,17-DIMETHENODIBENZO(E,K)PYRROLO(3,4-H)(1,4,13)OXADIAZACYCLOHEXADECINE-18,20(19H)-DIONE, 6,7,10,11-TETRAHYDRO-9-((METHYLAMINO)METHYL)-, (9S)-
Systematic Name English
N-DESMETHYL-LY 333531
Common Name English
Code System Code Type Description
PUBCHEM
10671412
Created by admin on Fri Jun 25 20:32:48 UTC 2021 , Edited by admin on Fri Jun 25 20:32:48 UTC 2021
PRIMARY
FDA UNII
M2BQ56K56V
Created by admin on Fri Jun 25 20:32:48 UTC 2021 , Edited by admin on Fri Jun 25 20:32:48 UTC 2021
PRIMARY
CAS
191848-32-5
Created by admin on Fri Jun 25 20:32:48 UTC 2021 , Edited by admin on Fri Jun 25 20:32:48 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
at 4h
PLASMA
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
MAJOR
FECAL
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

Tmax PHARMACOKINETIC ORAL ADMINISTRATION