TCS-OX2-29

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H31N3O3
Molecular Weight	397.5105
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C=C2CN(CCC2=C1)C(=O)[C@@H](NCC3=CC=NC=C3)C(C)(C)C

InChI

InChIKey=COFVZFLCAOUMJT-OAQYLSRUSA-N

InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H31N3O3
Molecular Weight	397.5105
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 `Sat Dec 16 17:00:34 UTC 2023` Edited by `admin` on `Sat Dec 16 17:00:34 UTC 2023`
Record UNII	KH2US47J8R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TCS-OX2-29

Common Name

English

1-BUTANONE, 1-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)-3,3-DIMETHYL-2-((4-PYRIDINYLMETHYL)AMINO)-, (2S)-

Systematic Name

English

(2S)-1-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)-3,3-DIMETHYL-2-((4-PYRIDINYLMETHYL)AMINO)-1-BUTANONE

Systematic Name

English

OREXIN ANTAGONIST TCS-OX2-29

Common Name

English

(2S)-2-(4-PYRIDYLMETHYLAMINO)-1-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)-3,3-DIMETHYLBUTAN-1-ONE

Systematic Name

English

ISOQUINOLINE, 2-((2S)-3,3-DIMETHYL-1-OXO-2-((4-PYRIDINYLMETHYL)AMINO)BUTYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-

Systematic Name

English

TCS-OX 2-29

Common Name

English

Code System Code Type Description

FDA UNII

KH2US47J8R