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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26N4O3
Molecular Weight 454.5203
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL RUBOXISTAURIN

SMILES

CNC[C@@H]1CCN2C=C(C3=C2C=CC=C3)C4=C(C(=O)NC4=O)C5=CN(CCO1)C6=C5C=CC=C6

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

Approval Year

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 Sat Dec 16 16:11:09 GMT 2023 , Edited by admin on Sat Dec 16 16:11:09 GMT 2023
PRIMARY
FDA UNII
M2BQ56K56V
Created by admin on Sat Dec 16 16:11:09 GMT 2023 , Edited by admin on Sat Dec 16 16:11:09 GMT 2023
PRIMARY
CAS
191848-32-5
Created by admin on Sat Dec 16 16:11:09 GMT 2023 , Edited by admin on Sat Dec 16 16:11:09 GMT 2023
PRIMARY