GK-04489

Details

Stereochemistry	RACEMIC
Molecular Formula	C39H40ClN7O3S
Molecular Weight	722.298
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)CCCCON=C(C1=CC=CN=C1)C2=CC=CC(CN3CCC4=C(C3)SC5=C4C(=NC(C)C6=NN=C(C)N56)C7=CC=CC=C7Cl)=C2

InChI

InChIKey=DNRNTTDVQRLAPY-AESNPLDJSA-N

InChI=1S/C39H40ClN7O3S/c1-4-49-34(48)16-7-8-20-50-45-36(29-13-10-18-41-22-29)28-12-9-11-27(21-28)23-46-19-17-31-33(24-46)51-39-35(31)37(30-14-5-6-15-32(30)40)42-25(2)38-44-43-26(3)47(38)39/h5-6,9-15,18,21-22,25H,4,7-8,16-17,19-20,23-24H2,1-3H3/b45-36+

HIDE SMILES / InChI

Molecular Formula	C39H40ClN7O3S
Molecular Weight	722.298
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:08:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:08:21 GMT 2025`
Record UNII	1G1SAG13AE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTANOIC ACID, 5-((((3-((6-(2-CHLOROPHENYL)-7,10-DIHYDRO-1,4-DIMETHYL-4H-PYRIDO(4',3':4,5)THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-9(8H)-YL)METHYL)PHENYL)-3-PYRIDINYLMETHYLENE)AMINO)OXY)-, ETHYL ESTER

Preferred Name

English

GK-04489

Common Name

English

Code System Code Type Description

CAS

218152-82-0

Created by admin on Mon Mar 31 22:08:21 GMT 2025 , Edited by admin on Mon Mar 31 22:08:21 GMT 2025

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FDA UNII

1G1SAG13AE

Created by admin on Mon Mar 31 22:08:21 GMT 2025 , Edited by admin on Mon Mar 31 22:08:21 GMT 2025

PRIMARY

PUBCHEM

75005179

Created by admin on Mon Mar 31 22:08:21 GMT 2025 , Edited by admin on Mon Mar 31 22:08:21 GMT 2025

PRIMARY

Related Record Type Details


					1G1SAG13AE

GK-04489

ACTIVE MOIETY