N-DESMETHYL RUBOXISTAURIN

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 Search

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

Molecular Formula	C27H26N4O3
Molecular Weight	454.5203
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 `Wed Apr 02 07:19:24 GMT 2025` Edited by `admin` on `Wed Apr 02 07:19:24 GMT 2025`
Record UNII	M2BQ56K56V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY 338522

Preferred Name

English

N-DESMETHYL RUBOXISTAURIN

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 Wed Apr 02 07:19:24 GMT 2025 , Edited by admin on Wed Apr 02 07:19:24 GMT 2025

PRIMARY

FDA UNII

M2BQ56K56V

Created by admin on Wed Apr 02 07:19:24 GMT 2025 , Edited by admin on Wed Apr 02 07:19:24 GMT 2025

PRIMARY

CAS

191848-32-5

Created by admin on Wed Apr 02 07:19:24 GMT 2025 , Edited by admin on Wed Apr 02 07:19:24 GMT 2025

PRIMARY

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Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	ORAL ADMINISTRATION

Tmax	PHARMACOKINETIC	ORAL ADMINISTRATION