3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-2-PYRIMIDINYL)-9H-PYRROLO(3,4-B)QUINOLIN-9-ONE, (3R)-, METHANESULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H21N5O2.CH4O3S
Molecular Weight	555.604
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-2-PYRIMIDINYL)-9H-PYRROLO(3,4-B)QUINOLIN-9-ONE, (3R)-, METHANESULFONATE

Structure Search

SMILES

CS(O)(=O)=O.O=C1C2=C(NC3=C1C=CC=C3)[C@H](N(C2)C4=NC=C(C=N4)C5=NC=CC=C5)C6=CC7=C(OCC7)C=C6

InChI

InChIKey=KQCPBBVBGPJJCJ-UFTMZEDQSA-N

InChI=1S/C28H21N5O2.CH4O3S/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22;1-5(2,3)4/h1-9,11,13-15,26H,10,12,16H2,(H,32,34);1H3,(H,2,3,4)/t26-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C28H21N5O2
Molecular Weight	459.4986
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 10:12:55 GMT 2025` Edited by `admin` on `Wed Apr 02 10:12:55 GMT 2025`
Record UNII	YG4GKM8HG9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-2-PYRIMIDINYL)-9H-PYRROLO(3,4-B)QUINOLIN-9-ONE, (3R)-, METHANESULFONATE

Systematic Name

English

JNJ-10280205

Preferred Name

English

RWJ-387273

Code

English

9H-PYRROLO(3,4-B)QUINOLIN-9-ONE, 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-2-PYRIMIDINYL)-, (3R)-, MONOMETHANESULFONATE

Systematic Name

English

R-301249

Code

English

(3R)-3-(2,3-DIHYDROBENZOFURAN-5-YL)-2-(5-(2-PYRIDYL)PYRIMIDIN-2-YL)-3,4-DIHYDRO-1H-PYRROLO(3,4-B)QUINOLIN-9-ONE; METHANESULFONIC ACID

Systematic Name

English

9H-PYRROLO(3,4-B)QUINOLIN-9-ONE, 3-(2,3-DIHYDRO-5-BENZOFURANYL)-1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-2-PYRIMIDINYL)-, (3R)-, METHANESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

157010675

Created by admin on Wed Apr 02 10:12:55 GMT 2025 , Edited by admin on Wed Apr 02 10:12:55 GMT 2025

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CAS

620622-83-5

Created by admin on Wed Apr 02 10:12:55 GMT 2025 , Edited by admin on Wed Apr 02 10:12:55 GMT 2025

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FDA UNII

YG4GKM8HG9

Created by admin on Wed Apr 02 10:12:55 GMT 2025 , Edited by admin on Wed Apr 02 10:12:55 GMT 2025

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